Bioactive Compound Details

BioIDbio59
NamePHELLIBAUMIN C
ChEMBL IDCHEMBL1780026
Molecular FormulaC33H20O13
Molecular Weight624.51
Molecular Weight (Monoisotopic)624.0904
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsPhellibaumin C
SmilesO=c1oc(/C=C/c2ccc(O)c(O)c2)cc(O)c1/C(=C/c1ccc(O)c(O)c1)c1cc2oc(=O)c3cc(O)c(O)cc3c2c(=O)o1
InchiInChI=1S/C33H20O13/c34-20-5-2-14(8-22(20)36)1-4-16-10-26(40)29(32(42)44-16)19(7-15-3-6-21(35)23(37)9-15)27-13-28-30(33(43)45-27)17-11-24(38)25(39)12-18(17)31(41)46-28/h1-13,34-40H/b4-1+,19-7+
Inchi KeyCZNFRXIZUQPRDG-CTOXAEOWSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score0.75
Records Key['3']
Records Name['phellibaumin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure