Bioactive Compound Details

BioIDbio1333
NameGINKGOLIDE C
ChEMBL IDCHEMBL221821
Molecular FormulaC20H24O11
Molecular Weight440.4
Molecular Weight (Monoisotopic)440.1319
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsGinkgolide C
SmilesC[C@@H]1C(=O)O[C@H]2[C@H](O)[C@@]34O[C@@H]5OC(=O)[C@H](O)[C@@]56[C@H](C(C)(C)C)[C@H](O)C(OC3=O)[C@]64[C@@]12O
InchiInChI=1S/C20H24O11/c1-5-12(24)28-11-8(22)19-14(26)29-10-6(21)7(16(2,3)4)17(20(10,19)18(5,11)27)9(23)13(25)30-15(17)31-19/h5-11,15,21-23,27H,1-4H3/t5-,6+,7+,8+,9+,10?,11+,15+,17+,18-,19-,20-/m1/s1
Inchi KeySDFUECHWMIWNAG-ANJFEFBOSA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities12.0
Np Likeness Score2.65
Records Key['3, GC', '3']
Records Name['ginkgolide C', 'Ginkgolide C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure