Bioactive Compound Details

BioIDbio1309
NamePHAEOSPHAERIN C
ChEMBL IDCHEMBL2011656
Molecular FormulaC30H28O10
Molecular Weight548.54
Molecular Weight (Monoisotopic)548.1682
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsPhaeosphaerin C
SmilesCOC1=C2c3c4c5c(c(O)cc(OC)c5c5c(OC)cc(O)c(c35)C1=O)C(=O)[C@@H](OC)[C@]4(CC(C)O)[C@@H]2C(C)=O
InchiInChI=1S/C30H28O10/c1-10(31)9-30-24(11(2)32)23-22-20-16(26(35)28(23)39-5)12(33)7-14(37-3)18(20)19-15(38-4)8-13(34)17(21(19)25(22)30)27(36)29(30)40-6/h7-8,10,24,29,31,33-34H,9H2,1-6H3/t10?,24-,29-,30-/m1/s1
Inchi KeyBRUZRJKHXRRPCZ-HTKIONCRSA-N
Molecular SpeciesNEUTRAL
Targets5.0
Bioactivities7.0
Np Likeness Score1.93
Records Key['3']
Records Name['Phaeosphaerin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure