Bioactive Compound Details

BioIDbio119
NameSCHIZARIN C
ChEMBL IDCHEMBL476699
Molecular FormulaC28H36O8
Molecular Weight500.59
Molecular Weight (Monoisotopic)500.241
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsSchizarin C
SmilesCCCCCC(=O)O[C@@H]1c2cc3c(c(O)c2-c2c(cc(OC)c(OC)c2OC)C[C@@H](C)[C@H]1C)OCO3
InchiInChI=1S/C28H36O8/c1-7-8-9-10-21(29)36-25-16(3)15(2)11-17-12-19(31-4)27(32-5)28(33-6)22(17)23-18(25)13-20-26(24(23)30)35-14-34-20/h12-13,15-16,25,30H,7-11,14H2,1-6H3/t15-,16-,25+/m1/s1
Inchi KeyXEIWTSUWNIHCLK-RKPUJPDHSA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities7.0
Np Likeness Score1.87
Records Key['2']
Records Name['schizarin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure