Bioactive Compound Details

BioIDbio1667
NameAQUILARABIETIC ACID C
ChEMBL IDCHEMBL2333391
Molecular FormulaC23H36O5
Molecular Weight392.54
Molecular Weight (Monoisotopic)392.2563
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsAquilarabietic acid C
SmilesCC(C)[C@@]12C=C3[C@H](O)C[C@@H]4[C@](C)(CCC[C@@]4(C)C(=O)O)[C@H]3C[C@@H]1OC(C)(C)O2
InchiInChI=1S/C23H36O5/c1-13(2)23-12-14-15(10-18(23)27-20(3,4)28-23)21(5)8-7-9-22(6,19(25)26)17(21)11-16(14)24/h12-13,15-18,24H,7-11H2,1-6H3,(H,25,26)/t15-,16+,17+,18-,21+,22+,23-/m0/s1
Inchi KeyXVQABXWHRIIOBL-SHCWEXKVSA-N
Molecular SpeciesACID
Targets2.0
Bioactivities2.0
Np Likeness Score3.01
Records Key['3, Aquilarabietic acid C']
Records Name['7-alpha,12-alpha,13-alpha-trihydroxyabiet-8(14)-en-18-oic acid acetonide']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure