Bioactive Compound Details

BioIDbio546
NameBREVIPOLIDE C
ChEMBL IDCHEMBL1086650
Molecular FormulaC21H22O8
Molecular Weight402.4
Molecular Weight (Monoisotopic)402.1315
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsBrevipolide C
SmilesCC(OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)[C@H]1C[C@@H]1[C@H](O)[C@H]1CC=CC(=O)O1
InchiInChI=1S/C21H22O8/c1-11(28-19(25)8-6-12-5-7-15(22)16(23)9-12)20(26)13-10-14(13)21(27)17-3-2-4-18(24)29-17/h2,4-9,11,13-14,17,21-23,27H,3,10H2,1H3/b8-6+/t11?,13-,14-,17+,21-/m0/s1
Inchi KeyPMVFYHVSZOZDAN-WJWNCLPLSA-N
Molecular SpeciesNEUTRAL
Targets5.0
Bioactivities5.0
Np Likeness Score2.26
Records Key['3']
Records Name['brevipolide C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure