garcinol

Ligand id: 7001

Name: garcinol

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 10
Topological polar surface area 111.9
Molecular weight 602.36
XLogP 10.07
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Natural product or derivative
IUPAC Name
(1S,5R,7R)-3-[(3,4-dihydroxyphenyl)(hydroxy)methylidene]-6,6-dimethyl-1-[(2S)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]-5,7-bis(3-methylbut-2-en-1-yl)bicyclo[3.3.1]nonane-2,4,9-trione
Database Links
CAS Registry No. 78824-30-3
PubChem CID 174159
Search Google for chemical match using the InChIKey DTTONLKLWRTCAB-SMDXAGPFSA-N
Search Google for chemicals with the same backbone DTTONLKLWRTCAB
Comments
The is some ambiguity as to the exact stereochemistry of garcinol, with several representations of the structure listed on PubChem.