Bioactive Compound Details

BioIDbio698
NameTHORECTANDROL C
ChEMBL IDCHEMBL463450
Molecular FormulaC27H40O5
Molecular Weight444.61
Molecular Weight (Monoisotopic)444.2876
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsThorectandrol C
SmilesC=C1CCC[C@H]2[C@](C)(CC/C(C)=C/C[C@@H](O)C3=CC(=O)OC3)[C@@H](C)[C@H](OC(C)=O)C[C@]12C
InchiInChI=1S/C27H40O5/c1-17(10-11-22(29)21-14-25(30)31-16-21)12-13-26(5)19(3)23(32-20(4)28)15-27(6)18(2)8-7-9-24(26)27/h10,14,19,22-24,29H,2,7-9,11-13,15-16H2,1,3-6H3/b17-10+/t19-,22+,23+,24-,26+,27+/m0/s1
Inchi KeyDHZHHHTYJVQJEJ-VIYFSLSRSA-N
Molecular SpeciesACID
Targets6.0
Bioactivities6.0
Np Likeness Score3.46
Records Key['4']
Records Name['thorectandrol C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure