Bioactive Compound Details

BioIDbio229
NameNone
ChEMBL IDCHEMBL412540
Molecular FormulaC20H20O9
Molecular Weight404.37
Molecular Weight (Monoisotopic)404.1107
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
Synonyms1,23,14-Dianhydro-Ginkgolide C
SmilesCC1=C2C(=C[C@]34C5OC(=O)[C@@]23OC2OC(=O)[C@H](O)C24[C@H](C(C)(C)C)[C@H]5O)OC1=O
InchiInChI=1S/C20H20O9/c1-6-8-7(26-13(6)23)5-18-12-9(21)10(17(2,3)4)19(18)11(22)14(24)28-16(19)29-20(8,18)15(25)27-12/h5,9-12,16,21-22H,1-4H3/t9-,10+,11+,12?,16?,18-,19?,20+/m1/s1
Inchi KeyHCERBEGEWMAZKD-BBFKBFHISA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities3.0
Np Likeness Score2.48
Records Key['14']
Records Name['1,2,3,14-dianhydro-ginkgolide C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure