Bioactive Compound Details

BioIDbio1519
NameADENANTHIN C
ChEMBL IDCHEMBL482605
Molecular FormulaC26H36O8
Molecular Weight476.57
Molecular Weight (Monoisotopic)476.241
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsAdenanthin C
SmilesC=C1C(=O)[C@]23C[C@H]1C[C@H](OC(C)=O)[C@H]2[C@]1(C)[C@@H](OC(C)=O)C[C@H](O)C(C)(C)[C@H]1C[C@@H]3OC(C)=O
InchiInChI=1S/C26H36O8/c1-12-16-8-17(32-13(2)27)22-25(7)18(24(5,6)19(30)10-20(25)33-14(3)28)9-21(34-15(4)29)26(22,11-16)23(12)31/h16-22,30H,1,8-11H2,2-7H3/t16-,17+,18-,19+,20+,21+,22+,25+,26+/m1/s1
Inchi KeyQKHLDQYQFFOBAK-VCGKDBAHSA-N
Molecular SpeciesNEUTRAL
Targets7.0
Bioactivities8.0
Np Likeness Score3.12
Records Key['17', '2, Adenanthin C']
Records Name['Adenanthin C', '3beta-hydroxy-1alpha,7beta,1beta-triacetoxy-ent-kaur-16-en-15-one']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure