BIAdb: A Database for Benzylisoquinoline Alkaloids

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Citation: If you are using this server please cite:- Singla D, Sharma A, Kaur J, Panwar B, and Raghava GPS (2010): BIAdb: A curated database of benzylisoquinoline alkaloids. BMC Pharmacology 10:4.

Record No. 1 of 60

ID	1808
Name	Codeine
Pubchem ID	223652
KEGG ID	N/A
Source	N/A
Type	Unknown
Function	Antitussive
Drug Like Properties	No
Molecular Weight	397.44
Exact mass	397.119523
Molecular formula	C₁₈H₂₃NO₇S
XlogP	N/A
Topological Polar Surface Area	117
H-Bond Donor	3
H-Bond Acceptor	8
Rotational Bond Count	1
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O.OS(=O)(=O)O
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 2 of 60

ID	1811
Name	Codeine
Pubchem ID	23724833
KEGG ID	D02101
Source	N/A
Type	Unknown
Function	Antitussive
Drug Like Properties	No
Molecular Weight	844.82
Exact mass	844.331242
Molecular formula	C₃₈H₅₈N₂O₁₅P₂
XlogP	N/A
Topological Polar Surface Area	240
H-Bond Donor	9
H-Bond Acceptor	17
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C.C.CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O.CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O.O.OP(=O)(O)O.OP(=O)(O)O
Isomeric SMILE	C.C.CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O.CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O.O.OP(=O)(O)O.OP(=O)(O)O
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 3 of 60

ID	1814
Name	Codeine
Pubchem ID	24832059
KEGG ID	N/A
Source	N/A
Type	Unknown
Function	Antitussive
Drug Like Properties	No
Molecular Weight	396.35
Exact mass	396.121214
Molecular formula	C₁₈H₂₃NO₇P-
XlogP	N/A
Topological Polar Surface Area	123
H-Bond Donor	3
H-Bond Acceptor	8
Rotational Bond Count	1
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O.OP(=O)(O)[O-]
Isomeric SMILE	CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O.OP(=O)(O)[O-]
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 4 of 60

ID	1815
Name	Codeine
Pubchem ID	5284371
KEGG ID	C06174
Source	Papaver setigerum
Type	Natural
Function	Antitussive
Drug Like Properties	Yes
Molecular Weight	299.36
Exact mass	299.152144
Molecular formula	C₁₈H₂₁NO₃
XlogP	1.1
Topological Polar Surface Area	41.9
H-Bond Donor	1
H-Bond Acceptor	4
Rotational Bond Count	1
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O
Isomeric SMILE	CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O
Drugpedia	wiki
References	1. Slavikova,Collect.Czech.Chem.Commun.,61,(1996),1047 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 5 of 60

ID	1816
Name	Codeine
Pubchem ID	5284371
KEGG ID	C06174
Source	Papaver somniferum
Type	Natural
Function	Antitussive
Drug Like Properties	Yes
Molecular Weight	299.36
Exact mass	299.152144
Molecular formula	C₁₈H₂₁NO₃
XlogP	1.1
Topological Polar Surface Area	41.9
H-Bond Donor	1
H-Bond Acceptor	4
Rotational Bond Count	1
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O
Isomeric SMILE	CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O
Drugpedia	wiki
References	1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records

Record No. 6 of 60

ID	1823
Name	Codeine
Pubchem ID	5359227
KEGG ID	N/A
Source	N/A
Type	Unknown
Function	Antitussive
Drug Like Properties	No
Molecular Weight	397.36
Exact mass	397.129039
Molecular formula	C₁₈H₂₄NO₇P
XlogP	N/A
Topological Polar Surface Area	120
H-Bond Donor	4
H-Bond Acceptor	8
Rotational Bond Count	1
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O.OP(=O)(O)O
Isomeric SMILE	CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O.OP(=O)(O)O
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 7 of 60

ID	1826
Name	Codeine
Pubchem ID	5362471
KEGG ID	D00195
Source	N/A
Type	Unknown
Function	Antitussive
Drug Like Properties	No
Molecular Weight	317.38
Exact mass	317.162708
Molecular formula	C₁₈H₂₃NO₄
XlogP	N/A
Topological Polar Surface Area	42.9
H-Bond Donor	2
H-Bond Acceptor	5
Rotational Bond Count	1
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O.O
Isomeric SMILE	CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O.O
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 8 of 60

ID	2017
Name	Dextromethorphan
Pubchem ID	5362449
KEGG ID	C06947
Source	Methyl analog of DEXTRORPHAN
Type	Unknown
Function	Antitussive
Drug Like Properties	Yes
Molecular Weight	271.40
Exact mass	271.193614
Molecular formula	C₁₈H₂₅NO
XlogP	3.4
Topological Polar Surface Area	12.5
H-Bond Donor	0
H-Bond Acceptor	2
Rotational Bond Count	1
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC23CCCCC2C1CC4=C3C=C(C=C4)OC
Isomeric SMILE	CN1CC[C@]23CCCC[C@H]2[C@H]1CC4=C3C=C(C=C4)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 9 of 60

ID	2047
Name	Dl-Glaucine phosphate
Pubchem ID	51783
KEGG ID	N/A
Source	N/A
Type	Unknown
Function	Antitussive
Drug Like Properties	No
Molecular Weight	453.42
Exact mass	453.155253
Molecular formula	C₂₁H₂₈NO₈P
XlogP	N/A
Topological Polar Surface Area	122
H-Bond Donor	3
H-Bond Acceptor	8
Rotational Bond Count	4
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C[NH+]1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC)OC)OC.OP(=O)(O)[O-]
Isomeric SMILE	C[NH+]1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC)OC)OC.OP(=O)(O)[O-]
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 10 of 60

ID	2152
Name	Ethylmorphine
Pubchem ID	5359271
KEGG ID	C07537
Source	N/A
Type	Unknown
Function	Antitussive
Drug Like Properties	Yes
Molecular Weight	313.39
Exact mass	313.167794
Molecular formula	C₁₉H₂₃NO₃
XlogP	1.5
Topological Polar Surface Area	41.9
H-Bond Donor	1
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CCOC1=C2C3=C(CC4C5C3(CCN4C)C(O2)C(C=C5)O)C=C1
Isomeric SMILE	CCOC1=C2C3=C(C[C@@H]4[C@H]5[C@]3(CCN4C)[C@@H](O2)[C@H](C=C5)O)C=C1
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 11 of 60

ID	2187
Name	Glaucine
Pubchem ID	16754
KEGG ID	C09446
Source	Annona reticulata
Type	Natural
Function	Antitussive
Drug Like Properties	Yes
Molecular Weight	355.43
Exact mass	355.178358
Molecular formula	C₂₁H₂₅NO₄
XlogP	3.4
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC)OC)OC
Drugpedia	wiki
References	1. Chang,Chim.Pharm.J.(Taipei),47,(1995),483 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 12 of 60

ID	2188
Name	Glaucine
Pubchem ID	16754
KEGG ID	C09446
Source	Beilschmiedia podagrica
Type	Natural
Function	Antitussive
Drug Like Properties	Yes
Molecular Weight	355.43
Exact mass	355.178358
Molecular formula	C₂₁H₂₅NO₄
XlogP	3.4
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC)OC)OC
Drugpedia	wiki
References	1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records

Record No. 13 of 60

ID	2189
Name	Glaucine
Pubchem ID	16754
KEGG ID	C09446
Source	Berberis densiflora
Type	Natural
Function	Antitussive
Drug Like Properties	Yes
Molecular Weight	355.43
Exact mass	355.178358
Molecular formula	C₂₁H₂₅NO₄
XlogP	3.4
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC)OC)OC
Drugpedia	wiki
References	1. Khamidov,Chem.Nat.,33,(1997),323 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 14 of 60

ID	2190
Name	Glaucine
Pubchem ID	16754
KEGG ID	C09446
Source	Berberis integerrima
Type	Natural
Function	Antitussive
Drug Like Properties	Yes
Molecular Weight	355.43
Exact mass	355.178358
Molecular formula	C₂₁H₂₅NO₄
XlogP	3.4
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC)OC)OC
Drugpedia	wiki
References	1. Karimov,Khim.Prir.Soedin.,(1993),472 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 15 of 60

ID	2191
Name	Glaucine
Pubchem ID	16754
KEGG ID	C09446
Source	Berberis numularis
Type	Natural
Function	Antitussive
Drug Like Properties	Yes
Molecular Weight	355.43
Exact mass	355.178358
Molecular formula	C₂₁H₂₅NO₄
XlogP	3.4
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC)OC)OC
Drugpedia	wiki
References	1. Karimov,Khim.Prir.Soedin.,(1993),472 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 16 of 60

ID	2192
Name	Glaucine
Pubchem ID	16754
KEGG ID	C09446
Source	Berberis oblonga
Type	Natural
Function	Antitussive
Drug Like Properties	Yes
Molecular Weight	355.43
Exact mass	355.178358
Molecular formula	C₂₁H₂₅NO₄
XlogP	3.4
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC)OC)OC
Drugpedia	wiki
References	1. Ituriaga-Vasquez,J.Nat.Prod.,66,(2003),954 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 17 of 60

ID	2193
Name	Glaucine
Pubchem ID	16754
KEGG ID	C09446
Source	Berberis turcomanica
Type	Natural
Function	Antitussive
Drug Like Properties	Yes
Molecular Weight	355.43
Exact mass	355.178358
Molecular formula	C₂₁H₂₅NO₄
XlogP	3.4
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC)OC)OC
Drugpedia	wiki
References	1. Khamidov,Khim.Prir.Soedin.,(1996),74 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 18 of 60

ID	2194
Name	Glaucine
Pubchem ID	16754
KEGG ID	C09446
Source	Ceratocapnos palaestinus
Type	Natural
Function	Antitussive
Drug Like Properties	Yes
Molecular Weight	355.43
Exact mass	355.178358
Molecular formula	C₂₁H₂₅NO₄
XlogP	3.4
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC)OC)OC
Drugpedia	wiki
References	1. Herath,J.Nat.Prod.,53,(1990),1006 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 19 of 60

ID	2195
Name	Glaucine
Pubchem ID	16754
KEGG ID	C09446
Source	Corydalis ambigua
Type	Natural
Function	Antitussive
Drug Like Properties	Yes
Molecular Weight	355.43
Exact mass	355.178358
Molecular formula	C₂₁H₂₅NO₄
XlogP	3.4
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC)OC)OC
Drugpedia	wiki
References	1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records

Record No. 20 of 60

ID	2196
Name	Glaucine
Pubchem ID	16754
KEGG ID	C09446
Source	Corydalis marchalliana
Type	Natural
Function	Antitussive
Drug Like Properties	Yes
Molecular Weight	355.43
Exact mass	355.178358
Molecular formula	C₂₁H₂₅NO₄
XlogP	3.4
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC)OC)OC
Drugpedia	wiki
References	1. Denisenko,Khim.Prir.Soedin.,(1993),768 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 21 of 60

ID	2197
Name	Glaucine
Pubchem ID	16754
KEGG ID	C09446
Source	Croton hemiargyreus
Type	Natural
Function	Antitussive
Drug Like Properties	Yes
Molecular Weight	355.43
Exact mass	355.178358
Molecular formula	C₂₁H₂₅NO₄
XlogP	3.4
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC)OC)OC
Drugpedia	wiki
References	1. Lin,J.Chin.Pharm.Sci.,12,(2003),117 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 22 of 60

ID	2198
Name	Glaucine
Pubchem ID	16754
KEGG ID	C09446
Source	Cryptocarya chinensis
Type	Natural
Function	Antitussive
Drug Like Properties	Yes
Molecular Weight	355.43
Exact mass	355.178358
Molecular formula	C₂₁H₂₅NO₄
XlogP	3.4
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC)OC)OC
Drugpedia	wiki
References	1. Wu,J.Nat.Prod.,64,(2001),1404 2. Lin,Chem.Pharm.Bull.,49,(2001),1292 3. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 4. Source 5. Function 6. All Records

Record No. 23 of 60

ID	2199
Name	Glaucine
Pubchem ID	16754
KEGG ID	C09446
Source	Dicentra eximia
Type	Natural
Function	Antitussive
Drug Like Properties	Yes
Molecular Weight	355.43
Exact mass	355.178358
Molecular formula	C₂₁H₂₅NO₄
XlogP	3.4
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC)OC)OC
Drugpedia	wiki
References	1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records

Record No. 24 of 60

ID	2200
Name	Glaucine
Pubchem ID	16754
KEGG ID	C09446
Source	Glaucium corniculatum
Type	Natural
Function	Antitussive
Drug Like Properties	Yes
Molecular Weight	355.43
Exact mass	355.178358
Molecular formula	C₂₁H₂₅NO₄
XlogP	3.4
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC)OC)OC
Drugpedia	wiki
References	1. Kintsurashvili,Chem.Nat.Compd.,35,(2000),225 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 25 of 60

ID	2201
Name	Glaucine
Pubchem ID	16754
KEGG ID	C09446
Source	Glaucium flavum
Type	Natural
Function	Antitussive
Drug Like Properties	Yes
Molecular Weight	355.43
Exact mass	355.178358
Molecular formula	C₂₁H₂₅NO₄
XlogP	3.4
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC)OC)OC
Drugpedia	wiki
References	1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records

Record No. 26 of 60

ID	2202
Name	Glaucine
Pubchem ID	16754
KEGG ID	C09446
Source	Liriodendron tulipifera
Type	Natural
Function	Antitussive
Drug Like Properties	Yes
Molecular Weight	355.43
Exact mass	355.178358
Molecular formula	C₂₁H₂₅NO₄
XlogP	3.4
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC)OC)OC
Drugpedia	wiki
References	1. Hsu,Holzforschung,45,(1991),325 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 27 of 60

ID	2203
Name	Glaucine
Pubchem ID	16754
KEGG ID	C09446
Source	Ocotea vellosiana
Type	Natural
Function	Antitussive
Drug Like Properties	Yes
Molecular Weight	355.43
Exact mass	355.178358
Molecular formula	C₂₁H₂₅NO₄
XlogP	3.4
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC)OC)OC
Drugpedia	wiki
References	1. Garcez,Phytochem.,39,(1995),815 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 28 of 60

ID	2204
Name	Glaucine
Pubchem ID	16754
KEGG ID	C09446
Source	Phoenicanthus obliqua
Type	Natural
Function	Antitussive
Drug Like Properties	Yes
Molecular Weight	355.43
Exact mass	355.178358
Molecular formula	C₂₁H₂₅NO₄
XlogP	3.4
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC)OC)OC
Drugpedia	wiki
References	1. Kim,U.S.Pat.,US6255317 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 29 of 60

ID	2205
Name	Glaucine
Pubchem ID	16754
KEGG ID	C09446
Source	Platycapnos saxicola
Type	Natural
Function	Antitussive
Drug Like Properties	Yes
Molecular Weight	355.43
Exact mass	355.178358
Molecular formula	C₂₁H₂₅NO₄
XlogP	3.4
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC)OC)OC
Drugpedia	wiki
References	1. Suau,Biochem.Syst.Ecol.,32,(2004),565 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 30 of 60

ID	2206
Name	Glaucine
Pubchem ID	16754
KEGG ID	C09446
Source	Platycapnos spicata
Type	Natural
Function	Antitussive
Drug Like Properties	Yes
Molecular Weight	355.43
Exact mass	355.178358
Molecular formula	C₂₁H₂₅NO₄
XlogP	3.4
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC)OC)OC
Drugpedia	wiki
References	1. Blanco,Phytochem.,32,(1993),1055 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 31 of 60

ID	2207
Name	Glaucine
Pubchem ID	16754
KEGG ID	C09446
Source	Platycapnos tenuiloba
Type	Natural
Function	Antitussive
Drug Like Properties	Yes
Molecular Weight	355.43
Exact mass	355.178358
Molecular formula	C₂₁H₂₅NO₄
XlogP	3.4
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC)OC)OC
Drugpedia	wiki
References	1. Suau,Phytochem.,30,(1991),3315 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 32 of 60

ID	2208
Name	Glaucine
Pubchem ID	16754
KEGG ID	C09446
Source	Rollinia mucosa
Type	Natural
Function	Antitussive
Drug Like Properties	Yes
Molecular Weight	355.43
Exact mass	355.178358
Molecular formula	C₂₁H₂₅NO₄
XlogP	3.4
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC)OC)OC
Drugpedia	wiki
References	1. Chen,J.Nat.Prod.,59,(1996),904 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 33 of 60

ID	2209
Name	Glaucine
Pubchem ID	16754
KEGG ID	C09446
Source	Sarcocapnos baetica
Type	Natural
Function	Antitussive
Drug Like Properties	Yes
Molecular Weight	355.43
Exact mass	355.178358
Molecular formula	C₂₁H₂₅NO₄
XlogP	3.4
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC)OC)OC
Drugpedia	wiki
References	1. Castedo,An.Quim.Ser.C,51,(1989),48 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 34 of 60

ID	2210
Name	Glaucine
Pubchem ID	16754
KEGG ID	C09446
Source	Sarcocapnos enneaphylla
Type	Natural
Function	Antitussive
Drug Like Properties	Yes
Molecular Weight	355.43
Exact mass	355.178358
Molecular formula	C₂₁H₂₅NO₄
XlogP	3.4
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC)OC)OC
Drugpedia	wiki
References	1. Tojo,Phytochem.,30,(1991),1005 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 35 of 60

ID	2211
Name	Glaucine
Pubchem ID	16754
KEGG ID	C09446
Source	Sarcocapnos saetabensis
Type	Natural
Function	Antitussive
Drug Like Properties	Yes
Molecular Weight	355.43
Exact mass	355.178358
Molecular formula	C₂₁H₂₅NO₄
XlogP	3.4
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC)OC)OC
Drugpedia	wiki
References	1. Blanco,Phytochem.,30,(1991),2071 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 36 of 60

ID	2212
Name	Glaucine
Pubchem ID	16754
KEGG ID	C09446
Source	Thalictrum flavum
Type	Natural
Function	Antitussive
Drug Like Properties	Yes
Molecular Weight	355.43
Exact mass	355.178358
Molecular formula	C₂₁H₂₅NO₄
XlogP	3.4
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC)OC)OC
Drugpedia	wiki
References	1. Velcheva,Acta Pharm.Nord.,4,(1992),57 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 37 of 60

ID	2213
Name	Glaucine
Pubchem ID	16754
KEGG ID	C09446
Source	Thalictrum ichengense
Type	Natural
Function	Antitussive
Drug Like Properties	Yes
Molecular Weight	355.43
Exact mass	355.178358
Molecular formula	C₂₁H₂₅NO₄
XlogP	3.4
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC)OC)OC
Drugpedia	wiki
References	1. Wu,Shoyakugaku Zasshi,43,(1989),195 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 38 of 60

ID	2214
Name	Glaucine
Pubchem ID	16754
KEGG ID	C09446
Source	Thalictrum triternatum
Type	Natural
Function	Antitussive
Drug Like Properties	Yes
Molecular Weight	355.43
Exact mass	355.178358
Molecular formula	C₂₁H₂₅NO₄
XlogP	3.4
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC)OC)OC
Drugpedia	wiki
References	1. Kintsurashvili,Izv.Akad.Nauk.Gruz.Ser.Khim.,23,(1997),171 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 39 of 60

ID	2215
Name	Glaucine
Pubchem ID	16754
KEGG ID	C09446
Source	Zanthoxylum ailanthoides
Type	Natural
Function	Antitussive
Drug Like Properties	Yes
Molecular Weight	355.43
Exact mass	355.178358
Molecular formula	C₂₁H₂₅NO₄
XlogP	3.4
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC)OC)OC
Drugpedia	wiki
References	1. Cheng,J.Chin.Chem.Soc.,50,(2003),1241 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 40 of 60

ID	2290
Name	Hydrocodone
Pubchem ID	5284569
KEGG ID	C08024
Source	N/A
Type	Unknown
Function	Antitussive
Drug Like Properties	Yes
Molecular Weight	299.36
Exact mass	299.152144
Molecular formula	C₁₈H₂₁NO₃
XlogP	2.2
Topological Polar Surface Area	38.8
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	1
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(=O)CC4
Isomeric SMILE	CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3C(=O)CC4
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 41 of 60

ID	2292
Name	Hydrocodone
Pubchem ID	5463977
KEGG ID	N/A
Source	N/A
Type	Unknown
Function	Antitussive
Drug Like Properties	No
Molecular Weight	449.45
Exact mass	449.168581
Molecular formula	C₂₂H₂₇NO₉
XlogP	N/A
Topological Polar Surface Area	154
H-Bond Donor	4
H-Bond Acceptor	10
Rotational Bond Count	4
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(=O)CC4.C(C(C(=O)O)O)(C(=O)O)O
Isomeric SMILE	CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3C(=O)CC4.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 42 of 60

ID	2702
Name	Morphine
Pubchem ID	5462237
KEGG ID	C01516
Source	Papaver setigerum
Type	Natural
Function	Antitussive
Drug Like Properties	Yes
Molecular Weight	285.34
Exact mass	285.136493
Molecular formula	C₁₇H₁₉NO₃
XlogP	0.8
Topological Polar Surface Area	52.9
H-Bond Donor	2
H-Bond Acceptor	4
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(C=C4)O
Isomeric SMILE	CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3C(C=C4)O
Drugpedia	wiki
References	1. Slavikova,Collect.Czech.Chem.Commun.,61,(1996),1047 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 43 of 60

ID	2703
Name	Morphine
Pubchem ID	5462237
KEGG ID	C01516
Source	Papaver somniferum
Type	Natural
Function	Antitussive
Drug Like Properties	Yes
Molecular Weight	285.34
Exact mass	285.136493
Molecular formula	C₁₇H₁₉NO₃
XlogP	0.8
Topological Polar Surface Area	52.9
H-Bond Donor	2
H-Bond Acceptor	4
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(C=C4)O
Isomeric SMILE	CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3C(C=C4)O
Drugpedia	wiki
References	1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records

Record No. 44 of 60

ID	2744
Name	Narcein
Pubchem ID	8564
KEGG ID	C09591
Source	Papaver rhopalothece
Type	Natural
Function	Antitussive
Drug Like Properties	Yes
Molecular Weight	445.46
Exact mass	445.173667
Molecular formula	C₂₃H₂₇NO₈
XlogP	0.5
Topological Polar Surface Area	104
H-Bond Donor	1
H-Bond Acceptor	9
Rotational Bond Count	10
IUPAC Name	6-[2-[6-(2-dimethylaminoethyl)-4-methoxy-1,3-benzodioxol-5-yl]acetyl]-2,3-dimethoxybenzoic acid
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN(C)CCC1=CC2=C(C(=C1CC(=O)C3=C(C(=C(C=C3)OC)OC)C(=O)O)OC)OCO2
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Sariyar,Planta Med.,56,(1990),232 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 45 of 60

ID	2745
Name	Narcein
Pubchem ID	8564
KEGG ID	C09591
Source	Papaver somniferum
Type	Natural
Function	Antitussive
Drug Like Properties	Yes
Molecular Weight	445.46
Exact mass	445.173667
Molecular formula	C₂₃H₂₇NO₈
XlogP	0.5
Topological Polar Surface Area	104
H-Bond Donor	1
H-Bond Acceptor	9
Rotational Bond Count	10
IUPAC Name	6-[2-[6-(2-dimethylaminoethyl)-4-methoxy-1,3-benzodioxol-5-yl]acetyl]-2,3-dimethoxybenzoic acid
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN(C)CCC1=CC2=C(C(=C1CC(=O)C3=C(C(=C(C=C3)OC)OC)C(=O)O)OC)OCO2
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records

Record No. 46 of 60

ID	2808
Name	Noscapine
Pubchem ID	13500
KEGG ID	N/A
Source	N/A
Type	Unknown
Function	Antitussive
Drug Like Properties	No
Molecular Weight	449.88
Exact mass	449.12413
Molecular formula	C₂₂H₂₄ClNO₇
XlogP	N/A
Topological Polar Surface Area	76.9
H-Bond Donor	1
H-Bond Acceptor	8
Rotational Bond Count	4
IUPAC Name	6,7-dimethoxy-3-[(5S)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-3H-2-benzofuran-1-one chloride
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C[NH+]1CCC2=CC3=C(C(=C2C1C4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OC)OCO3.[Cl-]
Isomeric SMILE	C[NH+]1CCC2=CC3=C(C(=C2[C@H]1C4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OC)OCO3.[Cl-]
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 47 of 60

ID	2809
Name	Noscapine
Pubchem ID	275196
KEGG ID	D01036
Source	N/A
Type	Unknown
Function	Antitussive
Drug Like Properties	Yes
Molecular Weight	413.42
Exact mass	413.147452
Molecular formula	C₂₂H₂₃NO₇
XlogP	2.7
Topological Polar Surface Area	75.7
H-Bond Donor	0
H-Bond Acceptor	8
Rotational Bond Count	4
IUPAC Name	(3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC3=C(C(=C2C1C4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OC)OCO3
Isomeric SMILE	CN1CCC2=CC3=C(C(=C2[C@@H]1[C@@H]4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OC)OCO3
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 48 of 60

ID	2810
Name	Noscapine hydrochloride
Pubchem ID	9933439
KEGG ID	D02172
Source	N/A
Type	Unknown
Function	Antitussive
Drug Like Properties	No
Molecular Weight	449.88
Exact mass	449.12413
Molecular formula	C₂₂H₂₄ClNO₇
XlogP	N/A
Topological Polar Surface Area	75.7
H-Bond Donor	1
H-Bond Acceptor	8
Rotational Bond Count	4
IUPAC Name	(3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one hydrochloride
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC3=C(C(=C2C1C4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OC)OCO3.Cl
Isomeric SMILE	CN1CCC2=CC3=C(C(=C2[C@@H]1[C@@H]4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OC)OCO3.Cl
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 49 of 60

ID	2866
Name	Opium
Pubchem ID	24840907
KEGG ID	N/A
Source	Papaver somniferum
Type	Natural
Function	Antitussive
Drug Like Properties	No
Molecular Weight	960.55
Exact mass	959.412373
Molecular formula	C₅₅H₆₂ClN₃O₁₀
XlogP	N/A
Topological Polar Surface Area	145
H-Bond Donor	4
H-Bond Acceptor	13
Rotational Bond Count	7
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(C=C4)O.CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O.COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC.Cl
Isomeric SMILE	CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)OC3[C@H](C=C4)O.CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)OC3[C@H](C=C4)O.COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC.Cl
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 50 of 60

ID	2867
Name	Opium
Pubchem ID	24840907
KEGG ID	N/A
Source	Papaver album
Type	Natural
Function	Antitussive
Drug Like Properties	No
Molecular Weight	960.55
Exact mass	959.412373
Molecular formula	C₅₅H₆₂ClN₃O₁₀
XlogP	N/A
Topological Polar Surface Area	145
H-Bond Donor	4
H-Bond Acceptor	13
Rotational Bond Count	7
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(C=C4)O.CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O.COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC.Cl
Isomeric SMILE	CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)OC3[C@H](C=C4)O.CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)OC3[C@H](C=C4)O.COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC.Cl
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 51 of 60

ID	2887
Name	Oxymorphone
Pubchem ID	4639
KEGG ID	N/A
Source	N/A
Type	Unknown
Function	Antitussive
Drug Like Properties	Yes
Molecular Weight	301.34
Exact mass	301.131408
Molecular formula	C₁₇H₁₉NO₄
XlogP	0.8
Topological Polar Surface Area	70
H-Bond Donor	2
H-Bond Acceptor	5
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)O)O4)O
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 52 of 60

ID	2890
Name	Oxymorphone
Pubchem ID	5359390
KEGG ID	D00844
Source	N/A
Type	Unknown
Function	Antitussive
Drug Like Properties	No
Molecular Weight	337.80
Exact mass	337.108086
Molecular formula	C₁₇H₂₀ClNO₄
XlogP	N/A
Topological Polar Surface Area	70
H-Bond Donor	3
H-Bond Acceptor	5
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)O)O4)O.Cl
Isomeric SMILE	CN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O.Cl
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 53 of 60

ID	2902
Name	Papaverine
Pubchem ID	4680
KEGG ID	C06533
Source	Papaver somniferum
Type	Natural
Function	Antitussive
Drug Like Properties	Yes
Molecular Weight	339.39
Exact mass	339.147058
Molecular formula	C₂₀H₂₁NO₄
XlogP	3.9
Topological Polar Surface Area	49.8
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	6
IUPAC Name	1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records

Record No. 54 of 60

ID	2903
Name	Papaverine
Pubchem ID	4680
KEGG ID	C06533
Source	Rauvolfia serpentina
Type	Natural
Function	Antitussive
Drug Like Properties	Yes
Molecular Weight	339.39
Exact mass	339.147058
Molecular formula	C₂₀H₂₁NO₄
XlogP	3.9
Topological Polar Surface Area	49.8
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	6
IUPAC Name	1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records

Record No. 55 of 60

ID	2906
Name	Papaverine
Pubchem ID	6084
KEGG ID	D02218
Source	Papaver somniferum
Type	Natural
Function	Antitussive
Drug Like Properties	No
Molecular Weight	375.85
Exact mass	375.123736
Molecular formula	C₂₀H₂₂ClNO₄
XlogP	N/A
Topological Polar Surface Area	49.8
H-Bond Donor	1
H-Bond Acceptor	5
Rotational Bond Count	6
IUPAC Name	1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline hydrochloride
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC.Cl
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 56 of 60

ID	2936
Name	Pholcodine
Pubchem ID	5359422
KEGG ID	N/A
Source	N/A
Type	Unknown
Function	Antitussive
Drug Like Properties	Yes
Molecular Weight	398.50
Exact mass	398.220557
Molecular formula	C₂₃H₃₀N₂O₄
XlogP	0.8
Topological Polar Surface Area	54.4
H-Bond Donor	1
H-Bond Acceptor	6
Rotational Bond Count	4
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC23C4C1CC5=C2C(=C(C=C5)OCCN6CCOCC6)OC3C(C=C4)O
Isomeric SMILE	CN1CC[C@]23[C@@H]4[C@H](C=CC2[C@H]1CC5=C3C(=C(C=C5)OCCN6CCOCC6)O4)O
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 57 of 60

ID	3215
Name	Sinomenine
Pubchem ID	5459308
KEGG ID	C09643
Source	Sinomenium acutum
Type	Natural
Function	Antitussive
Drug Like Properties	Yes
Molecular Weight	329.39
Exact mass	329.162708
Molecular formula	C₁₉H₂₃NO₄
XlogP	2.2
Topological Polar Surface Area	59
H-Bond Donor	1
H-Bond Acceptor	5
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC23CC(=O)C(=CC2C1CC4=C3C(=C(C=C4)OC)O)OC
Isomeric SMILE	CN1CC[C@@]23CC(=O)C(=C[C@@H]2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC
Drugpedia	wiki
References	1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records

Record No. 58 of 60

ID	3216
Name	Sinomenine
Pubchem ID	5459308
KEGG ID	C09643
Source	Cocculus laurifolius
Type	Natural
Function	Antitussive
Drug Like Properties	Yes
Molecular Weight	329.39
Exact mass	329.162708
Molecular formula	C₁₉H₂₃NO₄
XlogP	2.2
Topological Polar Surface Area	59
H-Bond Donor	1
H-Bond Acceptor	5
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC23CC(=O)C(=CC2C1CC4=C3C(=C(C=C4)OC)O)OC
Isomeric SMILE	CN1CC[C@@]23CC(=O)C(=C[C@@H]2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 59 of 60

ID	3217
Name	Sinomenine
Pubchem ID	5459308
KEGG ID	C09643
Source	Sinomenium acutum
Type	Natural
Function	Antitussive
Drug Like Properties	Yes
Molecular Weight	329.39
Exact mass	329.162708
Molecular formula	C₁₉H₂₃NO₄
XlogP	2.2
Topological Polar Surface Area	59
H-Bond Donor	1
H-Bond Acceptor	5
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC23CC(=O)C(=CC2C1CC4=C3C(=C(C=C4)OC)O)OC
Isomeric SMILE	CN1CC[C@@]23CC(=O)C(=C[C@@H]2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC
Drugpedia	wiki
References	1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records

Record No. 60 of 60

ID	3218
Name	Sinomenine
Pubchem ID	5459308
KEGG ID	C09643
Source	Stephania cepharantha
Type	Natural
Function	Antitussive
Drug Like Properties	Yes
Molecular Weight	329.39
Exact mass	329.162708
Molecular formula	C₁₉H₂₃NO₄
XlogP	2.2
Topological Polar Surface Area	59
H-Bond Donor	1
H-Bond Acceptor	5
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC23CC(=O)C(=CC2C1CC4=C3C(=C(C=C4)OC)O)OC
Isomeric SMILE	CN1CC[C@@]23CC(=O)C(=C[C@@H]2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC
Drugpedia	wiki
References	1. Polson,J.Periodontol,68,(1997),119 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records