Bioactive Compound Details

BioIDbio141
NamePARVISPINOSIDE C
ChEMBL IDCHEMBL463352
Molecular FormulaC19H30O9
Molecular Weight402.44
Molecular Weight (Monoisotopic)402.189
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsParvispinoside C
SmilesCC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InchiInChI=1S/C19H30O9/c1-10-6-12(22)7-18(2,3)19(10,26)5-4-11(21)9-27-17-16(25)15(24)14(23)13(8-20)28-17/h4-6,11,13-17,20-21,23-26H,7-9H2,1-3H3/b5-4+/t11?,13-,14-,15+,16-,17-,19-/m1/s1
Inchi KeyFHVQHMSEYRELEM-LVDJNBDXSA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities3.0
Np Likeness Score2.73
Records Key['6, Parvispinoside C']
Records Name['(6S,7E,9episilon)-6,9,10-trihydroxy-4,7-megastigmadien-3-one 10-O-beta-D-glucopyranoside']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure