Bioactive Compound Details

BioIDbio1689
NameOCHROCARPINONE C
ChEMBL IDCHEMBL488004
Molecular FormulaC33H42O5
Molecular Weight518.69
Molecular Weight (Monoisotopic)518.3032
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsOchrocarpinone C
SmilesCC(C)=CCC1CC2(CC=C(C)C)C(=O)C(C(=O)c3ccccc3)(C(=O)C3=C2OC(C(C)(C)O)C3)C1(C)C
InchiInChI=1S/C33H42O5/c1-20(2)14-15-23-19-32(17-16-21(3)4)28-24(18-25(38-28)31(7,8)37)27(35)33(29(32)36,30(23,5)6)26(34)22-12-10-9-11-13-22/h9-14,16,23,25,37H,15,17-19H2,1-8H3
Inchi KeyPHBDYBJOGVFIQU-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score2.6
Records Key['10']
Records Name['Ochrocarpinone C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure