Bioactive Compound Details

BioIDbio297
NameYUCCAOL C
ChEMBL IDCHEMBL479343
Molecular FormulaC30H22O10
Molecular Weight542.5
Molecular Weight (Monoisotopic)542.1213
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsYuccaol C
SmilesCOc1c(O)cc(/C=C/c2cc(O)cc3c2[C@@]2(C(=O)O3)c3c(O)cc(O)cc3O[C@@H]2c2ccc(O)cc2)cc1O
InchiInChI=1S/C30H22O10/c1-38-27-21(35)8-14(9-22(27)36)2-3-16-10-18(32)12-23-25(16)30(29(37)40-23)26-20(34)11-19(33)13-24(26)39-28(30)15-4-6-17(31)7-5-15/h2-13,28,31-36H,1H3/b3-2+/t28-,30-/m1/s1
Inchi KeyUMQRRGZFEXVPFD-BGGPHIJQSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities3.0
Np Likeness Score1.54
Records Key['7']
Records Name['yuccaol C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure