Bioactive Compound Details

BioIDbio1063
NameDAPHTENIDINE C
ChEMBL IDCHEMBL2062999
Molecular FormulaC27H35NO7
Molecular Weight485.58
Molecular Weight (Monoisotopic)485.2414
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsDaphtenidine C
SmilesCOC(=O)[C@@H]1C[C@]23C4=NC[C@@H](C)[C@]45C[C@@H](OC(C)=O)[C@@]2(COC(C)=O)[C@H](CCC2=C3[C@@H]1CC2)[C@H]5O
InchiInChI=1S/C27H35NO7/c1-13-11-28-24-25(13)10-20(35-15(3)30)27(12-34-14(2)29)19(22(25)31)8-6-16-5-7-17-18(23(32)33-4)9-26(24,27)21(16)17/h13,17-20,22,31H,5-12H2,1-4H3/t13-,17-,18-,19-,20-,22-,25+,26+,27-/m1/s1
Inchi KeyNZJXKLKBGZGNEP-MLFDZVGPSA-N
Molecular SpeciesNEUTRAL
Targets6.0
Bioactivities7.0
Np Likeness Score2.94
Records Key['15']
Records Name['daphtenidine C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure