Record No. 1 of 1

ID2012
NameDemecolcine
Pubchem ID2832
KEGG IDC11250
SourceMerendera robusta
TypeNatural
FunctionAntineoplastic
Drug Like PropertiesYes
Molecular Weight371.43
Exact mass371.173273
Molecular formulaC21H25NO5
XlogP1.4
Topological Polar Surface Area66
H-Bond Donor1
H-Bond Acceptor6
Rotational Bond Count5
IUPAC Name1,2,3,10-tetramethoxy-7-methylamino-6,7-dihydro-5H-benzo[g]heptalen-9-one
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECNC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
Isomeric SMILEN/A
Drugpediawiki
References1. Chommadov,Khim.Prir.Soedin,(1991),67
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
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