Bioactive Compound Details

BioIDbio752
NameCEDRONOLACTONE C
ChEMBL IDCHEMBL513384
Molecular FormulaC19H24O8
Molecular Weight380.39
Molecular Weight (Monoisotopic)380.1471
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsCedronolactone C
SmilesCC1=CC(=O)O[C@H]1[C@@]1(C)C[C@H]2OC(=O)[C@H](O)[C@H]3[C@@H](C)[C@@H](O)[C@]4(O)OC[C@@]32[C@@H]14
InchiInChI=1S/C19H24O8/c1-7-4-10(20)27-14(7)17(3)5-9-18-6-25-19(24,16(17)18)13(22)8(2)11(18)12(21)15(23)26-9/h4,8-9,11-14,16,21-22,24H,5-6H2,1-3H3/t8-,9-,11-,12-,13-,14-,16-,17-,18+,19+/m1/s1
Inchi KeyIRGXOUHTTCDCTK-BVPSEFMXSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score3.96
Records Key['3']
Records Name['cedronolactone C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure