Bioactive Compound Details

BioIDbio200211
Name2-OXO-KOLAVENIC ACID
ChEMBL IDCHEMBL2269078
Molecular FormulaC20H30O3
Molecular Weight318.46
Molecular Weight (Monoisotopic)318.2195
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
SynonymsNone
SmilesCC1=CC(=O)C[C@@H]2[C@@](C)(CC/C(C)=C/C(=O)O)[C@H](C)CC[C@@]12C
InchiInChI=1S/C20H30O3/c1-13(10-18(22)23)6-8-19(4)14(2)7-9-20(5)15(3)11-16(21)12-17(19)20/h10-11,14,17H,6-9,12H2,1-5H3,(H,22,23)/b13-10+/t14-,17-,19+,20+/m1/s1
Inchi KeySLMFLTPPPXRYHP-OHGCEXCKSA-N
Molecular SpeciesACID
Targets7.0
Bioactivities23.0
Np Likeness Score3.01
Records Key['2']
Records Name['2-oxo-kolavenic acid']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure