Bioactive Compound Details

BioIDbio648
NameGRANDILOBATIN C
ChEMBL IDCHEMBL520809
Molecular FormulaC20H32O3
Molecular Weight320.47
Molecular Weight (Monoisotopic)320.2351
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsGrandilobatin C
SmilesC/C1=C\CCC(=O)[C@H](C)/C=C(/C(C)(C)O)CC[C@H](C)CC(=O)C1
InchiInChI=1S/C20H32O3/c1-14-7-6-8-19(22)16(3)13-17(20(4,5)23)10-9-15(2)12-18(21)11-14/h7,13,15-16,23H,6,8-12H2,1-5H3/b14-7+,17-13+/t15-,16+/m0/s1
Inchi KeyKNDKWZIZEPJABD-FRIJAAEYSA-N
Molecular SpeciesNEUTRAL
Targets4.0
Bioactivities4.0
Np Likeness Score2.14
Records Key['3']
Records Name['grandilobatin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure