Bioactive Compound Details

BioIDbio1218
NameAJUGALIDE C
ChEMBL IDCHEMBL1813870
Molecular FormulaC24H34O8
Molecular Weight450.53
Molecular Weight (Monoisotopic)450.2254
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsAjugalide C
SmilesCC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)(C[C@H](O)C3=CC(=O)OC3)[C@H]1CCC[C@]21CO1
InchiInChI=1S/C24H34O8/c1-14-8-20(32-16(3)26)24(13-30-15(2)25)19(6-5-7-23(24)12-31-23)22(14,4)10-18(27)17-9-21(28)29-11-17/h9,14,18-20,27H,5-8,10-13H2,1-4H3/t14-,18+,19-,20+,22+,23+,24+/m1/s1
Inchi KeyDSTKFVXVQRVYIH-VQSMGOMNSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities4.0
Np Likeness Score3.44
Records Key['23']
Records Name['Ajugalide C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure