Bioactive Compound Details

BioIDbio1227
NameNYMPHAEOL C
ChEMBL IDCHEMBL455860
Molecular FormulaC30H36O6
Molecular Weight492.61
Molecular Weight (Monoisotopic)492.2512
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsNymphaeol C
SmilesCC(C)=CCC/C(C)=C/Cc1c([C@@H]2CC(=O)c3c(cc(O)c(CC=C(C)C)c3O)O2)ccc(O)c1O
InchiInChI=1S/C30H36O6/c1-17(2)7-6-8-19(5)10-12-21-20(13-14-23(31)29(21)34)26-16-25(33)28-27(36-26)15-24(32)22(30(28)35)11-9-18(3)4/h7,9-10,13-15,26,31-32,34-35H,6,8,11-12,16H2,1-5H3/b19-10+/t26-/m0/s1
Inchi KeySZHDIKOQLFZADP-XBPZWBIKSA-N
Molecular SpeciesNEUTRAL
Targets6.0
Bioactivities6.0
Np Likeness Score2.25
Records Key['6', 'Nymphaeol C']
Records Name['nymphaeol C', 'Nymphaeol C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure