5-ketodihydromevinolin

Ligand id: 3013

Name: 5-ketodihydromevinolin

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 11
Topological polar surface area 100.9
Molecular weight 422.27
XLogP 4.01
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(3R)-7-[(1S,2S,4aR,6S,8S)-2,6-dimethyl-8-{[(2S)-2-methylbutanoyl]oxy}-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-3-hydroxy-5-oxoheptanoic acid
Synonyms
compound 69 [PMID: 3656359] [1]
Database Links
ChEMBL Ligand CHEMBL293944
PubChem CID 44298287
Search Google for chemical match using the InChIKey OOKAZRDERJMRCJ-KOUAFAAESA-N
Search Google for chemicals with the same backbone OOKAZRDERJMRCJ
Search UniChem for chemical match using the InChIKey OOKAZRDERJMRCJ-KOUAFAAESA-N
Search UniChem for chemicals with the same backbone OOKAZRDERJMRCJ