Bioactive Compound Details

BioIDbio820
NameGUSANLUNGIONOSIDE C
ChEMBL IDCHEMBL1813175
Molecular FormulaC25H42O11
Molecular Weight518.6
Molecular Weight (Monoisotopic)518.2727
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsGusanlungionoside C
SmilesCC1=CC(=O)CC(C)(C)[C@@H]1CC[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O
InchiInChI=1S/C25H42O11/c1-11-8-14(27)9-25(4,5)15(11)7-6-12(2)33-24-22(20(31)18(29)16(10-26)35-24)36-23-21(32)19(30)17(28)13(3)34-23/h8,12-13,15-24,26,28-32H,6-7,9-10H2,1-5H3/t12-,13+,15-,16-,17+,18-,19-,20+,21-,22-,23+,24-/m1/s1
Inchi KeyZUTSCUCRFVUYIA-XUGLSIFHSA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities4.0
Np Likeness Score2.51
Records Key['3, Gusanlungionoside C']
Records Name[(6S,9R)-9-hydroxymegastigman-4-en-3-one 9-O-alpha-L-rhamnopyranosyl-(1''->2')-beta-D-glucopyranoside"]"
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure