Bioactive Compound Details

BioIDbio1131
NameHISPITOLIDE C
ChEMBL IDCHEMBL374174
Molecular FormulaC20H26O6
Molecular Weight362.42
Molecular Weight (Monoisotopic)362.1729
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsHispitolide C
SmilesC=C1C(=O)O[C@@H]2[C@H]1CC[C@H](COC(=O)/C(C)=C/C)[C@]1(O)CCC(=O)[C@@]21C
InchiInChI=1S/C20H26O6/c1-5-11(2)17(22)25-10-13-6-7-14-12(3)18(23)26-16(14)19(4)15(21)8-9-20(13,19)24/h5,13-14,16,24H,3,6-10H2,1-2,4H3/b11-5+/t13-,14+,16-,19+,20-/m1/s1
Inchi KeyNUZCELOKUVBKSF-HRTGYMJISA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities2.0
Np Likeness Score3.48
Records Key['3']
Records Name['hispitolide-C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure