Record No. 1 of 1

ID1150
NameAncistrocladine
Pubchem ID161741
KEGG IDC09335
SourceAncistrocladus abbreviatus
TypeNatural
FunctionAntimalarial
Drug Like PropertiesYes
Molecular Weight407.50
Exact mass407.209658
Molecular formulaC25H29NO4
XlogP5
Topological Polar Surface Area60
H-Bond Donor2
H-Bond Acceptor5
Rotational Bond Count4
IUPAC Name(1S,3S)-5-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-ol
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECC1CC2=C(C(=CC(=C2C(N1)C)OC)O)C3=C4C=CC=C(C4=C(C=C3C)OC)OC
Isomeric SMILEC[C@H]1CC2=C(C(=CC(=C2[C@@H](N1)C)OC)O)C3=C4C=CC=C(C4=C(C=C3C)OC)OC
Drugpediawiki
References1. Bringmann,Phytochem.,31,(1992),4011
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
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