Bioactive Compound Details

BioIDbio1064
NameDAPHMACROMINE C
ChEMBL IDCHEMBL2062987
Molecular FormulaC25H37NO5
Molecular Weight431.57
Molecular Weight (Monoisotopic)431.2672
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsDaphmacromine C
SmilesCCO[C@@]1(CC)CCC2(CO1)[C@@H]1CCC3=C4[C@H](CC3=O)[C@H](C(=O)OC)C[C@@]42CN(C)C1
InchiInChI=1S/C25H37NO5/c1-5-25(30-6-2)10-9-23(15-31-25)16-7-8-17-20(27)11-18-19(22(28)29-4)12-24(23,21(17)18)14-26(3)13-16/h16,18-19H,5-15H2,1-4H3/t16-,18-,19-,23?,24-,25-/m1/s1
Inchi KeyZFSSBWPJSMFMQB-PQMYCUNRSA-N
Molecular SpeciesBASE
Targets6.0
Bioactivities7.0
Np Likeness Score2.8
Records Key['3']
Records Name['Daphmacromine C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure