bongkrek acid

Ligand id: 4689

Name: bongkrek acid

Abbreviated name: BKA

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 17
Topological polar surface area 121.13
Molecular weight 486.26
XLogP 5.14
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Natural product or derivative
IUPAC Name
(2E,4Z,6R,8Z,10E,14E,17S,18E,20Z)-20-(carboxymethyl)-6-methoxy-2,5,17-trimethyldocosa-2,4,8,10,14,18,20-heptaenedioic acid
Synonyms
bongkrekic acid
flavotoxin A
Database Links
CAS Registry No. 11076-19-0 (source: Scifinder)
ChEBI CHEBI:77742
PubChem CID 6433556
Search Google for chemical match using the InChIKey SHCXABJSXUACKU-WUTQZGRKSA-N
Search Google for chemicals with the same backbone SHCXABJSXUACKU
Wikipedia Bongkrek_acid