Bioactive Compound Details

BioIDbio449
NameEXCISANIN C
ChEMBL IDCHEMBL253559
Molecular FormulaC20H30O4
Molecular Weight334.46
Molecular Weight (Monoisotopic)334.2144
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsExcisanin C
SmilesC=C1C(=O)[C@@]23[C@H](O)C[C@@H]4[C@@](C)(CO)CCC[C@@]4(C)[C@@H]2CC[C@@H]1[C@H]3O
InchiInChI=1S/C20H30O4/c1-11-12-5-6-13-19(3)8-4-7-18(2,10-21)14(19)9-15(22)20(13,16(11)23)17(12)24/h12-15,17,21-22,24H,1,4-10H2,2-3H3/t12-,13-,14+,15+,17+,18+,19-,20-/m0/s1
Inchi KeyNAXAHKFDLHFVHY-YNDYFHGHSA-N
Molecular SpeciesNEUTRAL
Targets9.0
Bioactivities11.0
Np Likeness Score3.55
Records Key['12', '13', '26']
Records Name['ent-18-acetoxy-7alpha,14beta-dihydroxykaur-16-en-15-one', 'Excisanin C', 'excisanin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure