Bioactive Compound Details

BioIDbio460
NameNone
ChEMBL IDCHEMBL2036463
Molecular FormulaC20H30O3
Molecular Weight318.46
Molecular Weight (Monoisotopic)318.2195
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsRel-Callilongisin C
SmilesCC(C)c1ccc2c(c1)CC[C@@H](C(C)(C)O)[C@]2(C)CCC(=O)O
InchiInChI=1S/C20H30O3/c1-13(2)14-6-8-16-15(12-14)7-9-17(19(3,4)23)20(16,5)11-10-18(21)22/h6,8,12-13,17,23H,7,9-11H2,1-5H3,(H,21,22)/t17-,20+/m0/s1
Inchi KeySKGRFDBPMXYXEN-FXAWDEMLSA-N
Molecular SpeciesACID
Targets1.0
Bioactivities2.0
Np Likeness Score1.77
Records Key['3']
Records Name['rel-Callilongisin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure