Bioactive Compound Details

BioIDbio1663
NameNERVILIFORDIN C
ChEMBL IDCHEMBL539431
Molecular FormulaC28H32O17
Molecular Weight640.55
Molecular Weight (Monoisotopic)640.1639
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
Synonymsnervilifordin C
SmilesCOc1cc(O)c2c(=O)c(O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)c(-c3ccc(O)c(O)c3)oc2c1
InchiInChI=1S/C28H32O17/c1-40-10-5-13(33)17-14(6-10)41-24(9-2-3-11(31)12(32)4-9)26(19(17)35)45-28-23(39)21(37)25(16(8-30)43-28)44-27-22(38)20(36)18(34)15(7-29)42-27/h2-6,15-16,18,20-23,25,27-34,36-39H,7-8H2,1H3/t15-,16-,18-,20+,21-,22-,23-,25-,27+,28+/m1/s1
Inchi KeyLSPBTBSEMHJXDA-QTWJRNDXSA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities2.0
Np Likeness Score1.84
Records Key['3, nervilifordin C']
Records Name['rhamnetin-3-O-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure