Bioactive Compound Details

BioIDbio153
NameKADANGUSTIN C
ChEMBL IDCHEMBL450645
Molecular FormulaC34H38O11
Molecular Weight622.67
Molecular Weight (Monoisotopic)622.2414
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsKadangustin C
SmilesCOc1cc2c(c(O)c1OC)-c1c(cc(OC)c(OC)c1OC)[C@@H](OC(C)=O)[C@H](C)[C@](C)(O)[C@@H]2OC(=O)/C=C/c1ccccc1
InchiInChI=1S/C34H38O11/c1-18-29(44-19(2)35)21-16-24(40-5)31(42-7)32(43-8)27(21)26-22(17-23(39-4)30(41-6)28(26)37)33(34(18,3)38)45-25(36)15-14-20-12-10-9-11-13-20/h9-18,29,33,37-38H,1-8H3/b15-14+/t18-,29-,33+,34-/m0/s1
Inchi KeyHCRDYSMLGNXTDO-FGMNBCQPSA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities3.0
Np Likeness Score1.72
Records Key['3']
Records Name['Kadangustin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure