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 40

ID	1079
Name	Actinodaphine
Pubchem ID	160502
KEGG ID	C09322
Source	Actinodaphne hookeri
Type	Natural
Function	Antimicrobial
Drug Like Properties	Yes
Molecular Weight	311.33
Exact mass	311.115758
Molecular formula	C₁₈H₁₇NO₄
XlogP	2.4
Topological Polar Surface Area	60
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	COC1=C(C=C2CC3C4=C(C2=C1)C5=C(C=C4CCN3)OCO5)O
Isomeric SMILE	COC1=C(C=C2C[C@H]3C4=C(C2=C1)C5=C(C=C4CCN3)OCO5)O
Drugpedia	wiki
References	1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records

Record No. 2 of 40

ID	1080
Name	Actinodaphine
Pubchem ID	160502
KEGG ID	C09322
Source	Cassytha filiformis
Type	Natural
Function	Antimicrobial
Drug Like Properties	Yes
Molecular Weight	311.33
Exact mass	311.115758
Molecular formula	C₁₈H₁₇NO₄
XlogP	2.4
Topological Polar Surface Area	60
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	COC1=C(C=C2CC3C4=C(C2=C1)C5=C(C=C4CCN3)OCO5)O
Isomeric SMILE	COC1=C(C=C2C[C@H]3C4=C(C2=C1)C5=C(C=C4CCN3)OCO5)O
Drugpedia	wiki
References	1. Wu,Phytother.Res.,12,(1998),1 2. Chao,Phytochem.,46,(1997),181 3. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 4. Source 5. Function 6. All Records

Record No. 3 of 40

ID	1081
Name	Actinodaphine
Pubchem ID	160502
KEGG ID	C09322
Source	Hernandia cordigera
Type	Natural
Function	Antimicrobial
Drug Like Properties	Yes
Molecular Weight	311.33
Exact mass	311.115758
Molecular formula	C₁₈H₁₇NO₄
XlogP	2.4
Topological Polar Surface Area	60
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	COC1=C(C=C2CC3C4=C(C2=C1)C5=C(C=C4CCN3)OCO5)O
Isomeric SMILE	COC1=C(C=C2C[C@H]3C4=C(C2=C1)C5=C(C=C4CCN3)OCO5)O
Drugpedia	wiki
References	1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records

Record No. 4 of 40

ID	1082
Name	Actinodaphine
Pubchem ID	160502
KEGG ID	C09322
Source	Illigera luzonensis
Type	Natural
Function	Antimicrobial
Drug Like Properties	Yes
Molecular Weight	311.33
Exact mass	311.115758
Molecular formula	C₁₈H₁₇NO₄
XlogP	2.4
Topological Polar Surface Area	60
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	COC1=C(C=C2CC3C4=C(C2=C1)C5=C(C=C4CCN3)OCO5)O
Isomeric SMILE	COC1=C(C=C2C[C@H]3C4=C(C2=C1)C5=C(C=C4CCN3)OCO5)O
Drugpedia	wiki
References	1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records

Record No. 5 of 40

ID	1083
Name	Actinodaphine
Pubchem ID	160502
KEGG ID	C09322
Source	Illigera parviflora
Type	Natural
Function	Antimicrobial
Drug Like Properties	Yes
Molecular Weight	311.33
Exact mass	311.115758
Molecular formula	C₁₈H₁₇NO₄
XlogP	2.4
Topological Polar Surface Area	60
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	COC1=C(C=C2CC3C4=C(C2=C1)C5=C(C=C4CCN3)OCO5)O
Isomeric SMILE	COC1=C(C=C2C[C@H]3C4=C(C2=C1)C5=C(C=C4CCN3)OCO5)O
Drugpedia	wiki
References	1. Zhang,Zhongcaoyao,22,(1991),393 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 6 of 40

ID	1084
Name	Actinodaphine
Pubchem ID	160502
KEGG ID	C09322
Source	Laurus nobilis
Type	Natural
Function	Antimicrobial
Drug Like Properties	Yes
Molecular Weight	311.33
Exact mass	311.115758
Molecular formula	C₁₈H₁₇NO₄
XlogP	2.4
Topological Polar Surface Area	60
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	COC1=C(C=C2CC3C4=C(C2=C1)C5=C(C=C4CCN3)OCO5)O
Isomeric SMILE	COC1=C(C=C2C[C@H]3C4=C(C2=C1)C5=C(C=C4CCN3)OCO5)O
Drugpedia	wiki
References	1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records

Record No. 7 of 40

ID	1085
Name	Actinodaphine
Pubchem ID	160502
KEGG ID	C09322
Source	Litsea garciae
Type	Natural
Function	Antimicrobial
Drug Like Properties	Yes
Molecular Weight	311.33
Exact mass	311.115758
Molecular formula	C₁₈H₁₇NO₄
XlogP	2.4
Topological Polar Surface Area	60
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	COC1=C(C=C2CC3C4=C(C2=C1)C5=C(C=C4CCN3)OCO5)O
Isomeric SMILE	COC1=C(C=C2C[C@H]3C4=C(C2=C1)C5=C(C=C4CCN3)OCO5)O
Drugpedia	wiki
References	1. Lee,Chung-hua Yao Hsueh Tsa Chih,47,(1995),69 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 8 of 40

ID	1086
Name	Actinodaphine
Pubchem ID	160502
KEGG ID	C09322
Source	Litsea gardneri
Type	Natural
Function	Antimicrobial
Drug Like Properties	Yes
Molecular Weight	311.33
Exact mass	311.115758
Molecular formula	C₁₈H₁₇NO₄
XlogP	2.4
Topological Polar Surface Area	60
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	COC1=C(C=C2CC3C4=C(C2=C1)C5=C(C=C4CCN3)OCO5)O
Isomeric SMILE	COC1=C(C=C2C[C@H]3C4=C(C2=C1)C5=C(C=C4CCN3)OCO5)O
Drugpedia	wiki
References	1. Bandara,Planta Med.,55,(1989),393 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 9 of 40

ID	1087
Name	Actinodaphine
Pubchem ID	160502
KEGG ID	C09322
Source	Litsea sebifera
Type	Natural
Function	Antimicrobial
Drug Like Properties	Yes
Molecular Weight	311.33
Exact mass	311.115758
Molecular formula	C₁₈H₁₇NO₄
XlogP	2.4
Topological Polar Surface Area	60
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	COC1=C(C=C2CC3C4=C(C2=C1)C5=C(C=C4CCN3)OCO5)O
Isomeric SMILE	COC1=C(C=C2C[C@H]3C4=C(C2=C1)C5=C(C=C4CCN3)OCO5)O
Drugpedia	wiki
References	1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records

Record No. 10 of 40

ID	1088
Name	Actinodaphine
Pubchem ID	160502
KEGG ID	C09322
Source	Neolitsea konishii
Type	Natural
Function	Antimicrobial
Drug Like Properties	Yes
Molecular Weight	311.33
Exact mass	311.115758
Molecular formula	C₁₈H₁₇NO₄
XlogP	2.4
Topological Polar Surface Area	60
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	COC1=C(C=C2CC3C4=C(C2=C1)C5=C(C=C4CCN3)OCO5)O
Isomeric SMILE	COC1=C(C=C2C[C@H]3C4=C(C2=C1)C5=C(C=C4CCN3)OCO5)O
Drugpedia	wiki
References	1. Lee,J.Chin.Chem.Soc.,39,(1992),189 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 11 of 40

ID	1089
Name	Actinodaphine
Pubchem ID	160502
KEGG ID	C09322
Source	Thalictrum acutifolium
Type	Natural
Function	Antimicrobial
Drug Like Properties	Yes
Molecular Weight	311.33
Exact mass	311.115758
Molecular formula	C₁₈H₁₇NO₄
XlogP	2.4
Topological Polar Surface Area	60
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	COC1=C(C=C2CC3C4=C(C2=C1)C5=C(C=C4CCN3)OCO5)O
Isomeric SMILE	COC1=C(C=C2C[C@H]3C4=C(C2=C1)C5=C(C=C4CCN3)OCO5)O
Drugpedia	wiki
References	1. Lin,Goadeng Xuexiao Huaxue Xuebao,21,(2000),1820 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 12 of 40

ID	1093
Name	Aknadicine
Pubchem ID	442156
KEGG ID	C09325
Source	Stephania cepharantha
Type	Natural
Function	Antimicrobial
Drug Like Properties	Yes
Molecular Weight	345.39
Exact mass	345.157623
Molecular formula	C₁₉H₂₃NO₅
XlogP	1.3
Topological Polar Surface Area	77
H-Bond Donor	2
H-Bond Acceptor	6
Rotational Bond Count	3
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C(CCC34C2(CCN3)CC(=O)C(=C4OC)OC)C=C1)O
Isomeric SMILE	COC1=C(C2=C(CC[C@@]34[C@@]2(CCN3)CC(=O)C(=C4OC)OC)C=C1)O
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

Record No. 13 of 40

ID	1094
Name	Aknadicine
Pubchem ID	442156
KEGG ID	C09325
Source	Stephania hernandifolia
Type	Natural
Function	Antimicrobial
Drug Like Properties	Yes
Molecular Weight	345.39
Exact mass	345.157623
Molecular formula	C₁₉H₂₃NO₅
XlogP	1.3
Topological Polar Surface Area	77
H-Bond Donor	2
H-Bond Acceptor	6
Rotational Bond Count	3
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C(CCC34C2(CCN3)CC(=O)C(=C4OC)OC)C=C1)O
Isomeric SMILE	COC1=C(C2=C(CC[C@@]34[C@@]2(CCN3)CC(=O)C(=C4OC)OC)C=C1)O
Drugpedia	wiki
References	1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records

Record No. 14 of 40

ID	1161
Name	Anolobine
Pubchem ID	164710
KEGG ID	C09338
Source	Annona cherimola
Type	Natural
Function	Antimicrobial
Drug Like Properties	Yes
Molecular Weight	281.31
Exact mass	281.105193
Molecular formula	C₁₇H₁₅NO₃
XlogP	2.5
Topological Polar Surface Area	50.7
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	C1CNC2CC3=C(C=CC(=C3)O)C4=C2C1=CC5=C4OCO5
Isomeric SMILE	C1CN[C@@H]2CC3=C(C=CC(=C3)O)C4=C2C1=CC5=C4OCO5
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. 15 of 40

ID	1162
Name	Anolobine
Pubchem ID	164710
KEGG ID	C09338
Source	Annona cherimolia
Type	Natural
Function	Antimicrobial
Drug Like Properties	Yes
Molecular Weight	281.31
Exact mass	281.105193
Molecular formula	C₁₇H₁₅NO₃
XlogP	2.5
Topological Polar Surface Area	50.7
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	C1CNC2CC3=C(C=CC(=C3)O)C4=C2C1=CC5=C4OCO5
Isomeric SMILE	C1CN[C@@H]2CC3=C(C=CC(=C3)O)C4=C2C1=CC5=C4OCO5
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. 16 of 40

ID	1163
Name	Anolobine
Pubchem ID	164710
KEGG ID	C09338
Source	Anomianthus dulcis
Type	Natural
Function	Antimicrobial
Drug Like Properties	Yes
Molecular Weight	281.31
Exact mass	281.105193
Molecular formula	C₁₇H₁₅NO₃
XlogP	2.5
Topological Polar Surface Area	50.7
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	C1CNC2CC3=C(C=CC(=C3)O)C4=C2C1=CC5=C4OCO5
Isomeric SMILE	C1CN[C@@H]2CC3=C(C=CC(=C3)O)C4=C2C1=CC5=C4OCO5
Drugpedia	wiki
References	1. Sinz,Biochem.Syst.Ecol.,28,(1998),139 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 17 of 40

ID	1164
Name	Anolobine
Pubchem ID	164710
KEGG ID	C09338
Source	Asimina triloba
Type	Natural
Function	Antimicrobial
Drug Like Properties	Yes
Molecular Weight	281.31
Exact mass	281.105193
Molecular formula	C₁₇H₁₅NO₃
XlogP	2.5
Topological Polar Surface Area	50.7
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	C1CNC2CC3=C(C=CC(=C3)O)C4=C2C1=CC5=C4OCO5
Isomeric SMILE	C1CN[C@@H]2CC3=C(C=CC(=C3)O)C4=C2C1=CC5=C4OCO5
Drugpedia	wiki
References	1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records

Record No. 18 of 40

ID	1165
Name	Anolobine
Pubchem ID	164710
KEGG ID	C09338
Source	Guatteria goudotiana
Type	Natural
Function	Antimicrobial
Drug Like Properties	Yes
Molecular Weight	281.31
Exact mass	281.105193
Molecular formula	C₁₇H₁₅NO₃
XlogP	2.5
Topological Polar Surface Area	50.7
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	C1CNC2CC3=C(C=CC(=C3)O)C4=C2C1=CC5=C4OCO5
Isomeric SMILE	C1CN[C@@H]2CC3=C(C=CC(=C3)O)C4=C2C1=CC5=C4OCO5
Drugpedia	wiki
References	1. Castedo,Phytochem.,30,(1991),2781 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 19 of 40

ID	1166
Name	Anolobine
Pubchem ID	164710
KEGG ID	C09338
Source	Guatteria tonduzii
Type	Natural
Function	Antimicrobial
Drug Like Properties	Yes
Molecular Weight	281.31
Exact mass	281.105193
Molecular formula	C₁₇H₁₅NO₃
XlogP	2.5
Topological Polar Surface Area	50.7
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	C1CNC2CC3=C(C=CC(=C3)O)C4=C2C1=CC5=C4OCO5
Isomeric SMILE	C1CN[C@@H]2CC3=C(C=CC(=C3)O)C4=C2C1=CC5=C4OCO5
Drugpedia	wiki
References	1. Lopez,Phytochem.,29,(1990),1899 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 20 of 40

ID	1167
Name	Anolobine
Pubchem ID	164710
KEGG ID	C09338
Source	Xylopia parviflora
Type	Natural
Function	Antimicrobial
Drug Like Properties	Yes
Molecular Weight	281.31
Exact mass	281.105193
Molecular formula	C₁₇H₁₅NO₃
XlogP	2.5
Topological Polar Surface Area	50.7
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	C1CNC2CC3=C(C=CC(=C3)O)C4=C2C1=CC5=C4OCO5
Isomeric SMILE	C1CN[C@@H]2CC3=C(C=CC(=C3)O)C4=C2C1=CC5=C4OCO5
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. 21 of 40

ID	1168
Name	Anolobine
Pubchem ID	164710
KEGG ID	C09338
Source	Xylopia vieillardi
Type	Natural
Function	Antimicrobial
Drug Like Properties	Yes
Molecular Weight	281.31
Exact mass	281.105193
Molecular formula	C₁₇H₁₅NO₃
XlogP	2.5
Topological Polar Surface Area	50.7
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	C1CNC2CC3=C(C=CC(=C3)O)C4=C2C1=CC5=C4OCO5
Isomeric SMILE	C1CN[C@@H]2CC3=C(C=CC(=C3)O)C4=C2C1=CC5=C4OCO5
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. 22 of 40

ID	1169
Name	Anonaine
Pubchem ID	160597
KEGG ID	C09339
Source	Annona cherimolia
Type	Natural
Function	Antimicrobial
Drug Like Properties	Yes
Molecular Weight	265.31
Exact mass	265.110279
Molecular formula	C₁₇H₁₅NO₂
XlogP	2.8
Topological Polar Surface Area	30.5
H-Bond Donor	1
H-Bond Acceptor	3
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C1CNC2CC3=CC=CC=C3C4=C2C1=CC5=C4OCO5
Isomeric SMILE	C1CN[C@@H]2CC3=CC=CC=C3C4=C2C1=CC5=C4OCO5
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 23 of 40

ID	1170
Name	Anonaine
Pubchem ID	160597
KEGG ID	C09339
Source	Annona reticulata
Type	Natural
Function	Antimicrobial
Drug Like Properties	Yes
Molecular Weight	265.31
Exact mass	265.110279
Molecular formula	C₁₇H₁₅NO₂
XlogP	2.8
Topological Polar Surface Area	30.5
H-Bond Donor	1
H-Bond Acceptor	3
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C1CNC2CC3=CC=CC=C3C4=C2C1=CC5=C4OCO5
Isomeric SMILE	C1CN[C@@H]2CC3=CC=CC=C3C4=C2C1=CC5=C4OCO5
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 40

ID	1171
Name	Anonaine
Pubchem ID	160597
KEGG ID	C09339
Source	Annona senegalensis
Type	Natural
Function	Antimicrobial
Drug Like Properties	Yes
Molecular Weight	265.31
Exact mass	265.110279
Molecular formula	C₁₇H₁₅NO₂
XlogP	2.8
Topological Polar Surface Area	30.5
H-Bond Donor	1
H-Bond Acceptor	3
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C1CNC2CC3=CC=CC=C3C4=C2C1=CC5=C4OCO5
Isomeric SMILE	C1CN[C@@H]2CC3=CC=CC=C3C4=C2C1=CC5=C4OCO5
Drugpedia	wiki
References	1. You,J.Nat.Prod.,58,(1995),598 2. Philipov,Fitoterapia,66,(1995),275 3. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 4. Source 5. Function 6. All Records

Record No. 25 of 40

ID	1172
Name	Anonaine
Pubchem ID	160597
KEGG ID	C09339
Source	Nelumbo nucifera
Type	Natural
Function	Antimicrobial
Drug Like Properties	Yes
Molecular Weight	265.31
Exact mass	265.110279
Molecular formula	C₁₇H₁₅NO₂
XlogP	2.8
Topological Polar Surface Area	30.5
H-Bond Donor	1
H-Bond Acceptor	3
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C1CNC2CC3=CC=CC=C3C4=C2C1=CC5=C4OCO5
Isomeric SMILE	C1CN[C@@H]2CC3=CC=CC=C3C4=C2C1=CC5=C4OCO5
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 40

ID	1173
Name	Anonaine
Pubchem ID	160597
KEGG ID	C09339
Source	Rollinia mucosa
Type	Natural
Function	Antimicrobial
Drug Like Properties	Yes
Molecular Weight	265.31
Exact mass	265.110279
Molecular formula	C₁₇H₁₅NO₂
XlogP	2.8
Topological Polar Surface Area	30.5
H-Bond Donor	1
H-Bond Acceptor	3
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C1CNC2CC3=CC=CC=C3C4=C2C1=CC5=C4OCO5
Isomeric SMILE	C1CN[C@@H]2CC3=CC=CC=C3C4=C2C1=CC5=C4OCO5
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. 27 of 40

ID	1174
Name	Anonaine
Pubchem ID	160597
KEGG ID	C09339
Source	Stephania cepharantha
Type	Natural
Function	Antimicrobial
Drug Like Properties	Yes
Molecular Weight	265.31
Exact mass	265.110279
Molecular formula	C₁₇H₁₅NO₂
XlogP	2.8
Topological Polar Surface Area	30.5
H-Bond Donor	1
H-Bond Acceptor	3
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C1CNC2CC3=CC=CC=C3C4=C2C1=CC5=C4OCO5
Isomeric SMILE	C1CN[C@@H]2CC3=CC=CC=C3C4=C2C1=CC5=C4OCO5
Drugpedia	wiki
References	1. Kashiwaba,Chem.Pharm.Bull.,45,(1997),470 2. Kashiwaba,Chem.Pharm.Bull.,43,(1997),545 3. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 4. Source 5. Function 6. All Records

Record No. 28 of 40

ID	1175
Name	Anonaine
Pubchem ID	160597
KEGG ID	C09339
Source	Xylopia papus
Type	Natural
Function	Antimicrobial
Drug Like Properties	Yes
Molecular Weight	265.31
Exact mass	265.110279
Molecular formula	C₁₇H₁₅NO₂
XlogP	2.8
Topological Polar Surface Area	30.5
H-Bond Donor	1
H-Bond Acceptor	3
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C1CNC2CC3=CC=CC=C3C4=C2C1=CC5=C4OCO5
Isomeric SMILE	C1CN[C@@H]2CC3=CC=CC=C3C4=C2C1=CC5=C4OCO5
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. 29 of 40

ID	1176
Name	Anonaine
Pubchem ID	160597
KEGG ID	C09339
Source	Xylopia parviflora
Type	Natural
Function	Antimicrobial
Drug Like Properties	Yes
Molecular Weight	265.31
Exact mass	265.110279
Molecular formula	C₁₇H₁₅NO₂
XlogP	2.8
Topological Polar Surface Area	30.5
H-Bond Donor	1
H-Bond Acceptor	3
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C1CNC2CC3=CC=CC=C3C4=C2C1=CC5=C4OCO5
Isomeric SMILE	C1CN[C@@H]2CC3=CC=CC=C3C4=C2C1=CC5=C4OCO5
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. 30 of 40

ID	2492
Name	Kyoberin
Pubchem ID	155074
KEGG ID	D01250
Source	N/A
Type	Unknown
Function	Antimicrobial
Drug Like Properties	No
Molecular Weight	389.83
Exact mass	389.103
Molecular formula	C₂₀H₂₀ClNO₅
XlogP	N/A
Topological Polar Surface Area	41.8
H-Bond Donor	1
H-Bond Acceptor	6
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC.O.[Cl-]
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 31 of 40

ID	3383
Name	Thalicarpine
Pubchem ID	21470
KEGG ID	C09655
Source	Hernandia nymphaefolia
Type	Natural
Function	Antimicrobial
Drug Like Properties	No
Molecular Weight	696.83
Exact mass	696.341067
Molecular formula	C₄₁H₄₈N₂O₈
XlogP	6.7
Topological Polar Surface Area	80.3
H-Bond Donor	0
H-Bond Acceptor	10
Rotational Bond Count	11
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC5=CC(=C(C=C5CC6C7=CC(=C(C=C7CCN6C)OC)OC)OC)OC)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC5=CC(=C(C=C5C[C@H]6C7=CC(=C(C=C7CCN6C)OC)OC)OC)OC)OC)OC
Drugpedia	wiki
References	1. Chen,Planta Med.,55,(2000),133 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 32 of 40

ID	3384
Name	Thalicarpine
Pubchem ID	21470
KEGG ID	C09655
Source	Thalictrum dasycarpum
Type	Natural
Function	Antimicrobial
Drug Like Properties	No
Molecular Weight	696.83
Exact mass	696.341067
Molecular formula	C₄₁H₄₈N₂O₈
XlogP	6.7
Topological Polar Surface Area	80.3
H-Bond Donor	0
H-Bond Acceptor	10
Rotational Bond Count	11
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC5=CC(=C(C=C5CC6C7=CC(=C(C=C7CCN6C)OC)OC)OC)OC)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC5=CC(=C(C=C5C[C@H]6C7=CC(=C(C=C7CCN6C)OC)OC)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. 33 of 40

ID	3385
Name	Thalicarpine
Pubchem ID	21470
KEGG ID	C09655
Source	Thalictrum flavum
Type	Natural
Function	Antimicrobial
Drug Like Properties	No
Molecular Weight	696.83
Exact mass	696.341067
Molecular formula	C₄₁H₄₈N₂O₈
XlogP	6.7
Topological Polar Surface Area	80.3
H-Bond Donor	0
H-Bond Acceptor	10
Rotational Bond Count	11
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC5=CC(=C(C=C5CC6C7=CC(=C(C=C7CCN6C)OC)OC)OC)OC)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC5=CC(=C(C=C5C[C@H]6C7=CC(=C(C=C7CCN6C)OC)OC)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. 34 of 40

ID	3386
Name	Thalicarpine
Pubchem ID	21470
KEGG ID	C09655
Source	Thalictrum polygamum
Type	Natural
Function	Antimicrobial
Drug Like Properties	No
Molecular Weight	696.83
Exact mass	696.341067
Molecular formula	C₄₁H₄₈N₂O₈
XlogP	6.7
Topological Polar Surface Area	80.3
H-Bond Donor	0
H-Bond Acceptor	10
Rotational Bond Count	11
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC5=CC(=C(C=C5CC6C7=CC(=C(C=C7CCN6C)OC)OC)OC)OC)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC5=CC(=C(C=C5C[C@H]6C7=CC(=C(C=C7CCN6C)OC)OC)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. 35 of 40

ID	3393
Name	Thalidasine
Pubchem ID	159795
KEGG ID	C09656
Source	Thalictrum dasycarpum
Type	Natural
Function	Antimicrobial
Drug Like Properties	No
Molecular Weight	652.78
Exact mass	652.314852
Molecular formula	C₃₉H₄₄N₂O₇
XlogP	6.4
Topological Polar Surface Area	71.1
H-Bond Donor	0
H-Bond Acceptor	9
Rotational Bond Count	5
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C4)OC)OC5=CC=C(CC6C7=CC(=C(C(=C7CCN6C)O3)OC)OC)C=C5)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C4)OC)OC5=CC=C(C[C@H]6C7=CC(=C(C(=C7CCN6C)O3)OC)OC)C=C5)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. 36 of 40

ID	3394
Name	Thalidasine
Pubchem ID	159795
KEGG ID	C09656
Source	Thalictrum fargestii
Type	Natural
Function	Antimicrobial
Drug Like Properties	No
Molecular Weight	652.78
Exact mass	652.314852
Molecular formula	C₃₉H₄₄N₂O₇
XlogP	6.4
Topological Polar Surface Area	71.1
H-Bond Donor	0
H-Bond Acceptor	9
Rotational Bond Count	5
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C4)OC)OC5=CC=C(CC6C7=CC(=C(C(=C7CCN6C)O3)OC)OC)C=C5)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C4)OC)OC5=CC=C(C[C@H]6C7=CC(=C(C(=C7CCN6C)O3)OC)OC)C=C5)OC)OC
Drugpedia	wiki
References	1. Wu,Zhongguo Yaoke Daxue Xuebao,23,(1991),177 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 37 of 40

ID	3395
Name	Thalidasine
Pubchem ID	159795
KEGG ID	C09656
Source	Thalictrum flavum
Type	Natural
Function	Antimicrobial
Drug Like Properties	No
Molecular Weight	652.78
Exact mass	652.314852
Molecular formula	C₃₉H₄₄N₂O₇
XlogP	6.4
Topological Polar Surface Area	71.1
H-Bond Donor	0
H-Bond Acceptor	9
Rotational Bond Count	5
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C4)OC)OC5=CC=C(CC6C7=CC(=C(C(=C7CCN6C)O3)OC)OC)C=C5)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C4)OC)OC5=CC=C(C[C@H]6C7=CC(=C(C(=C7CCN6C)O3)OC)OC)C=C5)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. 38 of 40

ID	3396
Name	Thalidasine
Pubchem ID	159795
KEGG ID	C09656
Source	Thalictrum foetidum
Type	Natural
Function	Antimicrobial
Drug Like Properties	No
Molecular Weight	652.78
Exact mass	652.314852
Molecular formula	C₃₉H₄₄N₂O₇
XlogP	6.4
Topological Polar Surface Area	71.1
H-Bond Donor	0
H-Bond Acceptor	9
Rotational Bond Count	5
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C4)OC)OC5=CC=C(CC6C7=CC(=C(C(=C7CCN6C)O3)OC)OC)C=C5)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C4)OC)OC5=CC=C(C[C@H]6C7=CC(=C(C(=C7CCN6C)O3)OC)OC)C=C5)OC)OC
Drugpedia	wiki
References	1. Baser,Planta Med.,56,(1990),337 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 39 of 40

ID	3397
Name	Thalidasine
Pubchem ID	159795
KEGG ID	C09656
Source	Thalictrum havum
Type	Natural
Function	Antimicrobial
Drug Like Properties	No
Molecular Weight	652.78
Exact mass	652.314852
Molecular formula	C₃₉H₄₄N₂O₇
XlogP	6.4
Topological Polar Surface Area	71.1
H-Bond Donor	0
H-Bond Acceptor	9
Rotational Bond Count	5
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C4)OC)OC5=CC=C(CC6C7=CC(=C(C(=C7CCN6C)O3)OC)OC)C=C5)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C4)OC)OC5=CC=C(C[C@H]6C7=CC(=C(C(=C7CCN6C)O3)OC)OC)C=C5)OC)OC
Drugpedia	wiki
References	1. Duchevska,Acta Pharm.Nord.,1,(1989),363 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 40 of 40

ID	3398
Name	Thalidasine
Pubchem ID	159795
KEGG ID	C09656
Source	Thalictrum squarrosum
Type	Natural
Function	Antimicrobial
Drug Like Properties	No
Molecular Weight	652.78
Exact mass	652.314852
Molecular formula	C₃₉H₄₄N₂O₇
XlogP	6.4
Topological Polar Surface Area	71.1
H-Bond Donor	0
H-Bond Acceptor	9
Rotational Bond Count	5
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C4)OC)OC5=CC=C(CC6C7=CC(=C(C(=C7CCN6C)O3)OC)OC)C=C5)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C4)OC)OC5=CC=C(C[C@H]6C7=CC(=C(C(=C7CCN6C)O3)OC)OC)C=C5)OC)OC
Drugpedia	wiki
References	1. Zhou,Zhongcaoyao,21,(1990),397 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records