Bioactive Compound Details

BioIDbio949
NameARTOCARMITIN C
ChEMBL IDCHEMBL2164985
Molecular FormulaC31H30O9
Molecular Weight546.57
Molecular Weight (Monoisotopic)546.189
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsArtocarmitin C
SmilesCOc1cc(/C=C/C(=O)OC/C(C)=C\Cc2c(O)ccc(C(=O)/C=C/c3ccc(O)cc3)c2O)cc(OC)c1O
InchiInChI=1S/C31H30O9/c1-19(18-40-29(35)15-8-21-16-27(38-2)31(37)28(17-21)39-3)4-11-23-26(34)14-12-24(30(23)36)25(33)13-7-20-5-9-22(32)10-6-20/h4-10,12-17,32,34,36-37H,11,18H2,1-3H3/b13-7+,15-8+,19-4-
Inchi KeyBFUVZVXOKOJFJK-YTGKURFWSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities2.0
Np Likeness Score1.04
Records Key['7']
Records Name['Artocarmitin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure