okadaic acid

Ligand id: 5349

Name: okadaic acid

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 13
Hydrogen bond donors 5
Rotatable bonds 10
Topological polar surface area 182.83
Molecular weight 804.47
XLogP 2.97
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Natural product or derivative
IUPAC Name
(2R)-3-[(2S,5R,6R,8S)-8-[(2R,3E)-4-[(2R,4'aR,5R,6'S,8'R,8'aS)-8'-hydroxy-6'-[(1S,3S)-1-hydroxy-3-[(2S,3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]butyl]-7'-methylidene-hexahydro-3'H-spiro[oxolane-2,2'-pyrano[3,2-b]pyran]-5-yl]but-3-en-2-yl]-5-hydroxy-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-2-hydroxy-2-methylpropanoic acid
Database Links
CAS Registry No. 78111-17-8
ChEBI CHEBI:44658
ChEMBL Ligand CHEMBL280487
PubChem CID 446512
RCSB PDB Ligand OKA
Search Google for chemical match using the InChIKey QNDVLZJODHBUFM-WFXQOWMNSA-N
Search Google for chemicals with the same backbone QNDVLZJODHBUFM
Search UniChem for chemical match using the InChIKey QNDVLZJODHBUFM-WFXQOWMNSA-N
Search UniChem for chemicals with the same backbone QNDVLZJODHBUFM
Wikipedia Okadaic_acid