Bioactive Compound Details

BioIDbio1261
NameABIESADINE C
ChEMBL IDCHEMBL590316
Molecular FormulaC20H32O5
Molecular Weight352.47
Molecular Weight (Monoisotopic)352.225
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsAbiesadine C
SmilesCC(C)[C@]12O[C@H]1CC1[C@@]3(C)CCC[C@@](C)(C(=O)O)[C@@H]3CC[C@@]1(O)[C@H]2O
InchiInChI=1S/C20H32O5/c1-11(2)20-14(25-20)10-13-17(3)7-5-8-18(4,16(22)23)12(17)6-9-19(13,24)15(20)21/h11-15,21,24H,5-10H2,1-4H3,(H,22,23)/t12-,13?,14+,15-,17+,18-,19+,20+/m1/s1
Inchi KeyVUKHORQAZYZECW-BOOJXVHTSA-N
Molecular SpeciesACID
Targets4.0
Bioactivities4.0
Np Likeness Score2.78
Records Key['3, Abiesadine C']
Records Name['8beta,14alpha-dihydroxy-12,13alpha-epoxy-abieta-18-oic acid']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure