Bioactive Compound Details

BioIDbio924
NameAMPELOPSIN C
ChEMBL IDCHEMBL466300
Molecular FormulaC42H32O9
Molecular Weight680.71
Molecular Weight (Monoisotopic)680.2046
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsAmpelopsin C
SmilesOc1ccc([C@@H]2c3c(O)cc4c5c3[C@@H]([C@@H](c3ccc(O)cc3)c3c(O)cc(O)cc3[C@@H]5[C@@H](c3ccc(O)cc3)O4)[C@H]2c2cc(O)cc(O)c2)cc1
InchiInChI=1S/C42H32O9/c43-23-7-1-19(2-8-23)33-35(22-13-26(46)15-27(47)14-22)40-34(20-3-9-24(44)10-4-20)36-29(16-28(48)17-30(36)49)37-39-32(18-31(50)38(33)41(39)40)51-42(37)21-5-11-25(45)12-6-21/h1-18,33-35,37,40,42-50H/t33-,34-,35-,37-,40-,42+/m0/s1
Inchi KeyQDEHKEFWCRAFDN-DMGQSWNOSA-N
Molecular SpeciesNEUTRAL
Targets6.0
Bioactivities20.0
Np Likeness Score1.04
Records Key['10', 'ampelopsin C']
Records Name['Ampelopsin C', 'ampelopsin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure