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 28

ID	2497
Name	Laurolitsine
Pubchem ID	22179
KEGG ID	N/A
Source	L. chunii
Type	Natural
Function	Antiplatelet
Drug Like Properties	Yes
Molecular Weight	313.35
Exact mass	313.131408
Molecular formula	C₁₈H₁₉NO₄
XlogP	2.3
Topological Polar Surface Area	71
H-Bond Donor	3
H-Bond Acceptor	5
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C=C2CC3C4=C(C2=C1)C(=C(C=C4CCN3)O)OC)O
Isomeric SMILE	COC1=C(C=C2C[C@H]3C4=C(C2=C1)C(=C(C=C4CCN3)O)OC)O
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 2 of 28

ID	2499
Name	Laurotetanine
Pubchem ID	31415
KEGG ID	N/A
Source	Tetranthera benzoin
Type	Natural
Function	Antiplatelet
Drug Like Properties	Yes
Molecular Weight	327.37
Exact mass	327.147058
Molecular formula	C₁₉H₂₁NO₄
XlogP	2.6
Topological Polar Surface Area	60
H-Bond Donor	2
H-Bond Acceptor	5
Rotational Bond Count	3
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C3C(CC4=CC(=C(C=C42)OC)O)NCCC3=C1)OC
Isomeric SMILE	COC1=C(C2=C3[C@H](CC4=CC(=C(C=C42)OC)O)NCCC3=C1)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 3 of 28

ID	2500
Name	Laurotetanine
Pubchem ID	31415
KEGG ID	N/A
Source	Lindera benzoin
Type	Natural
Function	Antiplatelet
Drug Like Properties	Yes
Molecular Weight	327.37
Exact mass	327.147058
Molecular formula	C₁₉H₂₁NO₄
XlogP	2.6
Topological Polar Surface Area	60
H-Bond Donor	2
H-Bond Acceptor	5
Rotational Bond Count	3
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C3C(CC4=CC(=C(C=C42)OC)O)NCCC3=C1)OC
Isomeric SMILE	COC1=C(C2=C3[C@H](CC4=CC(=C(C=C42)OC)O)NCCC3=C1)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 4 of 28

ID	2785
Name	N-Methyllaurotetanine
Pubchem ID	631015
KEGG ID	N/A
Source	N/A
Type	Unknown
Function	Antiplatelet
Drug Like Properties	Yes
Molecular Weight	341.40
Exact mass	341.162708
Molecular formula	C₂₀H₂₃NO₄
XlogP	3
Topological Polar Surface Area	51.2
H-Bond Donor	1
H-Bond Acceptor	5
Rotational Bond Count	3
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)O)OC)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 5 of 28

ID	2787
Name	N-methylnandigerine
Pubchem ID	3083908
KEGG ID	N/A
Source	Lindera megaphylla
Type	Natural
Function	Antiplatelet
Drug Like Properties	Yes
Molecular Weight	325.36
Exact mass	325.131408
Molecular formula	C₁₉H₁₉NO₄
XlogP	2.9
Topological Polar Surface Area	51.2
H-Bond Donor	1
H-Bond Acceptor	5
Rotational Bond Count	1
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC3=C(C4=C2C1CC5=C4C(=C(C=C5)O)OC)OCO3
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 6 of 28

ID	2856
Name	O-Methylbulbocapnine
Pubchem ID	273033
KEGG ID	N/A
Source	Illigera luzonensis
Type	Natural
Function	Antiplatelet
Drug Like Properties	Yes
Molecular Weight	339.39
Exact mass	339.147058
Molecular formula	C₂₀H₂₁NO₄
XlogP	3.2
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC3=C(C4=C2C1CC5=C4C(=C(C=C5)OC)OC)OCO3
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 7 of 28

ID	2876
Name	Oxopurpureine
Pubchem ID	284998
KEGG ID	N/A
Source	Annona purpurea
Type	Natural
Function	Antiplatelet
Drug Like Properties	Yes
Molecular Weight	381.38
Exact mass	381.121237
Molecular formula	C₂₁H₁₉NO₆
XlogP	3.4
Topological Polar Surface Area	76.1
H-Bond Donor	0
H-Bond Acceptor	7
Rotational Bond Count	5
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C=C2C(=C1)C3=C(C(=C(C4=C3C(=NC=C4)C2=O)OC)OC)OC)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 8 of 28

ID	2944
Name	Predicentrine
Pubchem ID	6452494
KEGG ID	N/A
Source	Desmos rostrata
Type	Natural
Function	Antiplatelet
Drug Like Properties	Yes
Molecular Weight	341.40
Exact mass	341.162708
Molecular formula	C₂₀H₂₃NO₄
XlogP	3
Topological Polar Surface Area	51.2
H-Bond Donor	1
H-Bond Acceptor	5
Rotational Bond Count	3
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)O
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 9 of 28

ID	2969
Name	Protopine
Pubchem ID	22543
KEGG ID	N/A
Source	Fumaria indica
Type	Natural
Function	Antiplatelet
Drug Like Properties	No
Molecular Weight	389.83
Exact mass	389.103
Molecular formula	C₂₀H₂₀ClNO₅
XlogP	N/A
Topological Polar Surface Area	57.2
H-Bond Donor	1
H-Bond Acceptor	6
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C5=C(C=C4)OCO5)OCO3.Cl
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 10 of 28

ID	3115
Name	Salsolinol
Pubchem ID	54456
KEGG ID	N/A
Source	N/A
Type	Unknown
Function	Antiplatelet
Drug Like Properties	Yes
Molecular Weight	179.22
Exact mass	179.094629
Molecular formula	C₁₀H₁₃NO₂
XlogP	1
Topological Polar Surface Area	52.5
H-Bond Donor	3
H-Bond Acceptor	3
Rotational Bond Count	0
IUPAC Name	1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CC1C2=CC(=C(C=C2CCN1)O)O
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 11 of 28

ID	3443
Name	Trilobine
Pubchem ID	169007
KEGG ID	C09669
Source	Anisocycla cymosa
Type	Natural
Function	Antiplatelet
Drug Like Properties	No
Molecular Weight	562.65
Exact mass	562.246772
Molecular formula	C₃₅H₃₄N₂O₅
XlogP	5.9
Topological Polar Surface Area	61.4
H-Bond Donor	1
H-Bond Acceptor	7
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC3=C4C=C2C1CC5=CC(=C(C=C5)OC)OC6=CC=C(CC7C8=C(O4)C(=C(C=C8CCN7)OC)O3)C=C6
Isomeric SMILE	CN1CCC2=CC3=C4C=C2[C@@H]1CC5=CC(=C(C=C5)OC)OC6=CC=C(C[C@H]7C8=C(O4)C(=C(C=C8CCN7)OC)O3)C=C6
Drugpedia	wiki
References	1. Kanyinda,Planta Med.,55,(1989),394 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 12 of 28

ID	3444
Name	Trilobine
Pubchem ID	169007
KEGG ID	C09669
Source	Anisocycla grandidieri
Type	Natural
Function	Antiplatelet
Drug Like Properties	No
Molecular Weight	562.65
Exact mass	562.246772
Molecular formula	C₃₅H₃₄N₂O₅
XlogP	5.9
Topological Polar Surface Area	61.4
H-Bond Donor	1
H-Bond Acceptor	7
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC3=C4C=C2C1CC5=CC(=C(C=C5)OC)OC6=CC=C(CC7C8=C(O4)C(=C(C=C8CCN7)OC)O3)C=C6
Isomeric SMILE	CN1CCC2=CC3=C4C=C2[C@@H]1CC5=CC(=C(C=C5)OC)OC6=CC=C(C[C@H]7C8=C(O4)C(=C(C=C8CCN7)OC)O3)C=C6
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 28

ID	3445
Name	Trilobine
Pubchem ID	169007
KEGG ID	C09669
Source	Anisocycla jollyana
Type	Natural
Function	Antiplatelet
Drug Like Properties	No
Molecular Weight	562.65
Exact mass	562.246772
Molecular formula	C₃₅H₃₄N₂O₅
XlogP	5.9
Topological Polar Surface Area	61.4
H-Bond Donor	1
H-Bond Acceptor	7
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC3=C4C=C2C1CC5=CC(=C(C=C5)OC)OC6=CC=C(CC7C8=C(O4)C(=C(C=C8CCN7)OC)O3)C=C6
Isomeric SMILE	CN1CCC2=CC3=C4C=C2[C@@H]1CC5=CC(=C(C=C5)OC)OC6=CC=C(C[C@H]7C8=C(O4)C(=C(C=C8CCN7)OC)O3)C=C6
Drugpedia	wiki
References	1. Karimov,Khim.Prir.Soedin.,(1993),394 2. Karimov,Khim.Prir.Soedin.,(1993),397 3. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 4. Source 5. Function 6. All Records

Record No. 14 of 28

ID	3446
Name	Trilobine
Pubchem ID	169007
KEGG ID	C09669
Source	Cocculus sarmentosus
Type	Natural
Function	Antiplatelet
Drug Like Properties	No
Molecular Weight	562.65
Exact mass	562.246772
Molecular formula	C₃₅H₃₄N₂O₅
XlogP	5.9
Topological Polar Surface Area	61.4
H-Bond Donor	1
H-Bond Acceptor	7
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC3=C4C=C2C1CC5=CC(=C(C=C5)OC)OC6=CC=C(CC7C8=C(O4)C(=C(C=C8CCN7)OC)O3)C=C6
Isomeric SMILE	CN1CCC2=CC3=C4C=C2[C@@H]1CC5=CC(=C(C=C5)OC)OC6=CC=C(C[C@H]7C8=C(O4)C(=C(C=C8CCN7)OC)O3)C=C6
Drugpedia	wiki
References	1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records

Record No. 15 of 28

ID	3447
Name	Trilobine
Pubchem ID	169007
KEGG ID	C09669
Source	Cocculus trilobus
Type	Natural
Function	Antiplatelet
Drug Like Properties	No
Molecular Weight	562.65
Exact mass	562.246772
Molecular formula	C₃₅H₃₄N₂O₅
XlogP	5.9
Topological Polar Surface Area	61.4
H-Bond Donor	1
H-Bond Acceptor	7
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC3=C4C=C2C1CC5=CC(=C(C=C5)OC)OC6=CC=C(CC7C8=C(O4)C(=C(C=C8CCN7)OC)O3)C=C6
Isomeric SMILE	CN1CCC2=CC3=C4C=C2[C@@H]1CC5=CC(=C(C=C5)OC)OC6=CC=C(C[C@H]7C8=C(O4)C(=C(C=C8CCN7)OC)O3)C=C6
Drugpedia	wiki
References	1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records

Record No. 16 of 28

ID	3448
Name	Trilobine
Pubchem ID	169007
KEGG ID	C09669
Source	Cryptomeria japonicai
Type	Natural
Function	Antiplatelet
Drug Like Properties	No
Molecular Weight	562.65
Exact mass	562.246772
Molecular formula	C₃₅H₃₄N₂O₅
XlogP	5.9
Topological Polar Surface Area	61.4
H-Bond Donor	1
H-Bond Acceptor	7
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC3=C4C=C2C1CC5=CC(=C(C=C5)OC)OC6=CC=C(CC7C8=C(O4)C(=C(C=C8CCN7)OC)O3)C=C6
Isomeric SMILE	CN1CCC2=CC3=C4C=C2[C@@H]1CC5=CC(=C(C=C5)OC)OC6=CC=C(C[C@H]7C8=C(O4)C(=C(C=C8CCN7)OC)O3)C=C6
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 17 of 28

ID	3486
Name	Xylopine
Pubchem ID	160503
KEGG ID	C09670
Source	Annona cherimola
Type	Natural
Function	Antiplatelet
Drug Like Properties	Yes
Molecular Weight	295.33
Exact mass	295.120843
Molecular formula	C₁₈H₁₇NO₃
XlogP	2.8
Topological Polar Surface Area	39.7
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	COC1=CC2=C(C=C1)C3=C4C(C2)NCCC4=CC5=C3OCO5
Isomeric SMILE	COC1=CC2=C(C=C1)C3=C4[C@@H](C2)NCCC4=CC5=C3OCO5
Drugpedia	wiki
References	1. Chen,J.Chin.Chem.Soc.(Taipei),48,(2001),1203 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 18 of 28

ID	3487
Name	Xylopine
Pubchem ID	160503
KEGG ID	C09670
Source	Annona cherimolia
Type	Natural
Function	Antiplatelet
Drug Like Properties	Yes
Molecular Weight	295.33
Exact mass	295.120843
Molecular formula	C₁₈H₁₇NO₃
XlogP	2.8
Topological Polar Surface Area	39.7
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	COC1=CC2=C(C=C1)C3=C4C(C2)NCCC4=CC5=C3OCO5
Isomeric SMILE	COC1=CC2=C(C=C1)C3=C4[C@@H](C2)NCCC4=CC5=C3OCO5
Drugpedia	wiki
References	1. Simeon,Plant Med.Phytother.,23,(1989),159 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 19 of 28

ID	3488
Name	Xylopine
Pubchem ID	160503
KEGG ID	C09670
Source	Annona reticulata
Type	Natural
Function	Antiplatelet
Drug Like Properties	Yes
Molecular Weight	295.33
Exact mass	295.120843
Molecular formula	C₁₈H₁₇NO₃
XlogP	2.8
Topological Polar Surface Area	39.7
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	COC1=CC2=C(C=C1)C3=C4C(C2)NCCC4=CC5=C3OCO5
Isomeric SMILE	COC1=CC2=C(C=C1)C3=C4[C@@H](C2)NCCC4=CC5=C3OCO5
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. 20 of 28

ID	3489
Name	Xylopine
Pubchem ID	160503
KEGG ID	C09670
Source	Desmos longifolia
Type	Natural
Function	Antiplatelet
Drug Like Properties	Yes
Molecular Weight	295.33
Exact mass	295.120843
Molecular formula	C₁₈H₁₇NO₃
XlogP	2.8
Topological Polar Surface Area	39.7
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	COC1=CC2=C(C=C1)C3=C4C(C2)NCCC4=CC5=C3OCO5
Isomeric SMILE	COC1=CC2=C(C=C1)C3=C4[C@@H](C2)NCCC4=CC5=C3OCO5
Drugpedia	wiki
References	1. Hossain,Fitoterapia,16,(1995),463 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 21 of 28

ID	3490
Name	Xylopine
Pubchem ID	160503
KEGG ID	C09670
Source	Fissistigma glaucescens
Type	Natural
Function	Antiplatelet
Drug Like Properties	Yes
Molecular Weight	295.33
Exact mass	295.120843
Molecular formula	C₁₈H₁₇NO₃
XlogP	2.8
Topological Polar Surface Area	39.7
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	COC1=CC2=C(C=C1)C3=C4C(C2)NCCC4=CC5=C3OCO5
Isomeric SMILE	COC1=CC2=C(C=C1)C3=C4[C@@H](C2)NCCC4=CC5=C3OCO5
Drugpedia	wiki
References	1. Chang,J.Chin.Chem.Soc.(Taipei),47,(2000),1251 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 22 of 28

ID	3491
Name	Xylopine
Pubchem ID	160503
KEGG ID	C09670
Source	Talauma gitigensis
Type	Natural
Function	Antiplatelet
Drug Like Properties	Yes
Molecular Weight	295.33
Exact mass	295.120843
Molecular formula	C₁₈H₁₇NO₃
XlogP	2.8
Topological Polar Surface Area	39.7
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	COC1=CC2=C(C=C1)C3=C4C(C2)NCCC4=CC5=C3OCO5
Isomeric SMILE	COC1=CC2=C(C=C1)C3=C4[C@@H](C2)NCCC4=CC5=C3OCO5
Drugpedia	wiki
References	1. Nonato,J.Nat.Prod.,53,(1990),1623 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 23 of 28

ID	3492
Name	Xylopine
Pubchem ID	160503
KEGG ID	C09670
Source	Xylopia discreta
Type	Natural
Function	Antiplatelet
Drug Like Properties	Yes
Molecular Weight	295.33
Exact mass	295.120843
Molecular formula	C₁₈H₁₇NO₃
XlogP	2.8
Topological Polar Surface Area	39.7
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	COC1=CC2=C(C=C1)C3=C4C(C2)NCCC4=CC5=C3OCO5
Isomeric SMILE	COC1=CC2=C(C=C1)C3=C4[C@@H](C2)NCCC4=CC5=C3OCO5
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 28

ID	3493
Name	Xylopine
Pubchem ID	160503
KEGG ID	C09670
Source	Xylopia papuana
Type	Natural
Function	Antiplatelet
Drug Like Properties	Yes
Molecular Weight	295.33
Exact mass	295.120843
Molecular formula	C₁₈H₁₇NO₃
XlogP	2.8
Topological Polar Surface Area	39.7
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	COC1=CC2=C(C=C1)C3=C4C(C2)NCCC4=CC5=C3OCO5
Isomeric SMILE	COC1=CC2=C(C=C1)C3=C4[C@@H](C2)NCCC4=CC5=C3OCO5
Drugpedia	wiki
References	1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records

Record No. 25 of 28

ID	3494
Name	Xylopine
Pubchem ID	160503
KEGG ID	C09670
Source	Xylopia papus
Type	Natural
Function	Antiplatelet
Drug Like Properties	Yes
Molecular Weight	295.33
Exact mass	295.120843
Molecular formula	C₁₈H₁₇NO₃
XlogP	2.8
Topological Polar Surface Area	39.7
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	COC1=CC2=C(C=C1)C3=C4C(C2)NCCC4=CC5=C3OCO5
Isomeric SMILE	COC1=CC2=C(C=C1)C3=C4[C@@H](C2)NCCC4=CC5=C3OCO5
Drugpedia	wiki
References	1. Bermejo,Nat.Prod.Lett.,6,(1995),57 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 26 of 28

ID	3495
Name	Xylopine
Pubchem ID	160503
KEGG ID	C09670
Source	Xylopia parviflora
Type	Natural
Function	Antiplatelet
Drug Like Properties	Yes
Molecular Weight	295.33
Exact mass	295.120843
Molecular formula	C₁₈H₁₇NO₃
XlogP	2.8
Topological Polar Surface Area	39.7
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	COC1=CC2=C(C=C1)C3=C4C(C2)NCCC4=CC5=C3OCO5
Isomeric SMILE	COC1=CC2=C(C=C1)C3=C4[C@@H](C2)NCCC4=CC5=C3OCO5
Drugpedia	wiki
References	1. Nishiyama,Phytochem.,67,(2006),2671 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 27 of 28

ID	3496
Name	Xylopine
Pubchem ID	160503
KEGG ID	C09670
Source	Xylopia vieillardi
Type	Natural
Function	Antiplatelet
Drug Like Properties	Yes
Molecular Weight	295.33
Exact mass	295.120843
Molecular formula	C₁₈H₁₇NO₃
XlogP	2.8
Topological Polar Surface Area	39.7
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	COC1=CC2=C(C=C1)C3=C4C(C2)NCCC4=CC5=C3OCO5
Isomeric SMILE	COC1=CC2=C(C=C1)C3=C4[C@@H](C2)NCCC4=CC5=C3OCO5
Drugpedia	wiki
References	1. Jossang,J.Nat.Prod.,54,(1991),466 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 28 of 28

ID	3497
Name	Xylopine
Pubchem ID	160503
KEGG ID	C09670
Source	Guatteria amplifolia
Type	Natural
Function	Antiplatelet
Drug Like Properties	Yes
Molecular Weight	295.33
Exact mass	295.120843
Molecular formula	C₁₈H₁₇NO₃
XlogP	2.8
Topological Polar Surface Area	39.7
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	COC1=CC2=C(C=C1)C3=C4C(C2)NCCC4=CC5=C3OCO5
Isomeric SMILE	COC1=CC2=C(C=C1)C3=C4[C@@H](C2)NCCC4=CC5=C3OCO5
Drugpedia	wiki
References	1. Source 2. Function 3. All Records