Bioactive Compound Details

BioIDbio486
NameJERANTININE C
ChEMBL IDCHEMBL524639
Molecular FormulaC22H24N2O5
Molecular Weight396.44
Molecular Weight (Monoisotopic)396.1685
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsJerantinine C
SmilesCC[C@]12C=CC(=O)N3CC[C@]4(C(=C(C(=O)OC)C1)Nc1cc(OC)c(O)cc14)[C@@H]32
InchiInChI=1S/C22H24N2O5/c1-4-21-6-5-17(26)24-8-7-22(20(21)24)13-9-15(25)16(28-2)10-14(13)23-18(22)12(11-21)19(27)29-3/h5-6,9-10,20,23,25H,4,7-8,11H2,1-3H3/t20-,21-,22-/m0/s1
Inchi KeyAMYRFECRZHSHRT-FKBYEOEOSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities2.0
Np Likeness Score2.48
Records Key['3']
Records Name['Jerantinine C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure