Bioactive Compound Details

BioIDbio605
NameVITISINOL C
ChEMBL IDCHEMBL497517
Molecular FormulaC27H24O5
Molecular Weight428.48
Molecular Weight (Monoisotopic)428.1624
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsVitisinol C
SmilesO=C1C=C(/C=C/c2ccc(O)cc2)C[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)C1
InchiInChI=1S/C27H24O5/c28-21-7-3-17(4-8-21)1-2-18-11-23(30)16-27(19-5-9-22(29)10-6-19)26(12-18)20-13-24(31)15-25(32)14-20/h1-11,13-15,26-29,31-32H,12,16H2/b2-1+/t26-,27-/m0/s1
Inchi KeyBSKGJESYXYEJPI-XYVLITODSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities3.0
Np Likeness Score0.96
Records Key['3']
Records Name['vitisinol C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure