gossypol

Ligand id: 4204

Name: gossypol

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 6
Rotatable bonds 5
Topological polar surface area 155.52
Molecular weight 518.19
XLogP 5.51
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Natural product or derivative
IUPAC Name
7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-yl)naphthalen-2-yl]-2,3,8-trihydroxy-6-methyl-4-(propan-2-yl)naphthalene-1-carbaldehyde
Database Links
CAS Registry No. 303-45-7 (source: Scifinder)
ChEMBL Ligand CHEMBL51483
PubChem CID 3503
Search Google for chemical match using the InChIKey QBKSWRVVCFFDOT-UHFFFAOYSA-N
Search Google for chemicals with the same backbone QBKSWRVVCFFDOT
Wikipedia Gossypol