Bioactive Compound Details

BioIDbio1764
NameDAPHNIMACROPODINE C
ChEMBL IDCHEMBL400966
Molecular FormulaC22H29NO4
Molecular Weight371.48
Molecular Weight (Monoisotopic)371.2097
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsDaphnimacropodine C
SmilesC[C@@H]1CN(C=O)[C@H]2[C@@H]1CC[C@]13COC(=O)CC[C@]21C1=CCC[C@@H]1CCC3=O
InchiInChI=1S/C22H29NO4/c1-14-11-23(13-24)20-16(14)7-9-21-12-27-19(26)8-10-22(20,21)17-4-2-3-15(17)5-6-18(21)25/h4,13-16,20H,2-3,5-12H2,1H3/t14-,15-,16-,20+,21-,22+/m1/s1
Inchi KeyPCJYGKKIPFQGPZ-BIOIKTAESA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities3.0
Np Likeness Score2.9
Records Key['3']
Records Name['daphnimacropodine C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure