Bioactive Compound Details

BioIDbio1723
NameMETASEQUOIC ACID C
ChEMBL IDCHEMBL1689206
Molecular FormulaC20H32O3
Molecular Weight320.47
Molecular Weight (Monoisotopic)320.2351
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsMetasequoic Acid C
SmilesC=C1CC[C@H]2[C@](C)(O)[C@H](C)CC[C@]2(C)[C@H]1CC/C(C)=C/C(=O)O
InchiInChI=1S/C20H32O3/c1-13(12-18(21)22)6-8-16-14(2)7-9-17-19(16,4)11-10-15(3)20(17,5)23/h12,15-17,23H,2,6-11H2,1,3-5H3,(H,21,22)/b13-12+/t15-,16+,17-,19-,20-/m1/s1
Inchi KeyKKSRPYFDSRXBHV-PIGWEYSDSA-N
Molecular SpeciesACID
Targets1.0
Bioactivities1.0
Np Likeness Score3.05
Records Key['2, metasequoic acid C']
Records Name['4alpha-hydroxy-methyl-18-(4->3alpha)-abeolabda-8(17),E-13-dien-15-oic acid']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure