Bioactive Compound Details

BioIDbio945
NameVOLVALERENIC ACID C
ChEMBL IDCHEMBL1224798
Molecular FormulaC15H22O3
Molecular Weight250.34
Molecular Weight (Monoisotopic)250.1569
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsVolvalerenic Acid C
SmilesC=C1CC[C@H]2[C@@H](/C=C(\C(=O)O)CC[C@@H]1O)C2(C)C
InchiInChI=1S/C15H22O3/c1-9-4-6-11-12(15(11,2)3)8-10(14(17)18)5-7-13(9)16/h8,11-13,16H,1,4-7H2,2-3H3,(H,17,18)/b10-8-/t11-,12+,13-/m0/s1
Inchi KeyUFUCTYSVQPEEFA-ZTUIHPJCSA-N
Molecular SpeciesACID
Targets1.0
Bioactivities1.0
Np Likeness Score3.09
Records Key['9']
Records Name['Volvalerenic Acid C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure