Bioactive Compound Details

BioIDbio1613
NameISOSALVIANOLIC ACID C
ChEMBL IDCHEMBL464633
Molecular FormulaC26H20O10
Molecular Weight492.44
Molecular Weight (Monoisotopic)492.1056
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsIsosalvianolic Acid C
SmilesO=C(/C=C/c1ccc(O)c2c1C=Cc1cc(O)c(O)cc1O2)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O
InchiInChI=1S/C26H20O10/c27-17-6-1-13(9-19(17)29)10-23(26(33)34)35-24(32)8-4-14-3-7-18(28)25-16(14)5-2-15-11-20(30)21(31)12-22(15)36-25/h1-9,11-12,23,27-31H,10H2,(H,33,34)/b8-4+/t23-/m1/s1
Inchi KeyAVGRZVZQTALJJF-VURDRKPISA-N
Molecular SpeciesACID
Targets1.0
Bioactivities2.0
Np Likeness Score1.59
Records Key['6']
Records Name['isosalvianolic acid C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure