Bioactive Compound Details

BioIDbio61
NameADENAFLORINE C
ChEMBL IDCHEMBL463700
Molecular FormulaC27H32O5
Molecular Weight436.55
Molecular Weight (Monoisotopic)436.225
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsAdenaflorine C
SmilesCC(=O)c1c2c(c3cc(OCC=C(C)C)c(CC=C(C)C)c(O)c3c1O)C=CC(C)(C)O2
InchiInChI=1S/C27H32O5/c1-15(2)8-9-19-21(31-13-11-16(3)4)14-20-18-10-12-27(6,7)32-26(18)22(17(5)28)25(30)23(20)24(19)29/h8,10-12,14,29-30H,9,13H2,1-7H3
Inchi KeyILDBGZHKNVSTSA-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities3.0
Np Likeness Score2.37
Records Key['3']
Records Name['adenaflorine C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure