Bioactive Compound Details

BioIDbio1225
NameCORDYLANE C
ChEMBL IDCHEMBL253322
Molecular FormulaC20H28O4
Molecular Weight332.44
Molecular Weight (Monoisotopic)332.1988
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsCordylane C
SmilesC[C@H]1c2ccoc2C[C@H]2[C@H]1CC[C@H]1[C@@](CO)(C(=O)O)CCC[C@]21C
InchiInChI=1S/C20H28O4/c1-12-13-4-5-17-19(2,7-3-8-20(17,11-21)18(22)23)15(13)10-16-14(12)6-9-24-16/h6,9,12-13,15,17,21H,3-5,7-8,10-11H2,1-2H3,(H,22,23)/t12-,13+,15+,17-,19-,20-/m1/s1
Inchi KeyPGRQEXADGLUWFM-AXOPDJDESA-N
Molecular SpeciesACID
Targets1.0
Bioactivities1.0
Np Likeness Score3.07
Records Key['3, Cordylane C']
Records Name['cassa-12,15-dien-19alpha-hydroxy-18beta-oic acid']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure