Bioactive Compound Details

BioIDbio768
NameNAMOGENIN C
ChEMBL IDCHEMBL458575
Molecular FormulaC27H40O6
Molecular Weight460.61
Molecular Weight (Monoisotopic)460.2825
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsNamogenin C
SmilesC=C1CC[C@@]2(OC1)O[C@H]1C[C@@]3(O)[C@@H]4CC=C5C[C@@H](O)C[C@@H](O)[C@]5(C)[C@H]4CC[C@]3(C)[C@@]1(O)[C@@H]2C
InchiInChI=1S/C27H40O6/c1-15-7-10-26(32-14-15)16(2)27(31)22(33-26)13-25(30)20-6-5-17-11-18(28)12-21(29)24(17,4)19(20)8-9-23(25,27)3/h5,16,18-22,28-31H,1,6-14H2,2-4H3/t16-,18-,19+,20-,21-,22+,23+,24+,25-,26-,27-/m1/s1
Inchi KeyYDCAYRNXFGXGAJ-DETVFNIRSA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities3.0
Np Likeness Score3.64
Records Key['3, Namogenin C']
Records Name['spirosta-5,25(27)-dien-1beta,3beta,14alpha,17alpha-tetrol']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure