Bioactive Compound Details

BioIDbio475
NameMONASCUSIC ACID C
ChEMBL IDCHEMBL2036064
Molecular FormulaC15H22O2
Molecular Weight234.34
Molecular Weight (Monoisotopic)234.162
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsMonascusic acid C
SmilesC[C@@H]1CC[C@@H]2/C(=C/CC(=O)O)[C@@H](C)C=C[C@H]2C1
InchiInChI=1S/C15H22O2/c1-10-3-6-14-12(9-10)5-4-11(2)13(14)7-8-15(16)17/h4-5,7,10-12,14H,3,6,8-9H2,1-2H3,(H,16,17)/b13-7+/t10-,11+,12+,14+/m1/s1
Inchi KeyORLOYGDCENCRMS-ZJBJDMGRSA-N
Molecular SpeciesACID
Targets2.0
Bioactivities3.0
Np Likeness Score2.27
Records Key['3, Monascusic acid C']
Records Name['3-(2,6-dimethyl-2,4a,5,6,7,8,8a-septahydronaphthalen-1-ylidene)propanoic acid']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure