Bioactive Compound Details

BioIDbio1605
NameSMENOSPONGINE C
ChEMBL IDCHEMBL1668120
Molecular FormulaC24H33NO5
Molecular Weight415.53
Molecular Weight (Monoisotopic)415.2359
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsSmenospongine C
SmilesC=C1CCC[C@H]2[C@](C)(CC3=C(O)C(=O)C=C(NCCC(=O)O)C3=O)[C@@H](C)CC[C@]12C
InchiInChI=1S/C24H33NO5/c1-14-6-5-7-19-23(14,3)10-8-15(2)24(19,4)13-16-21(29)17(12-18(26)22(16)30)25-11-9-20(27)28/h12,15,19,25,30H,1,5-11,13H2,2-4H3,(H,27,28)/t15-,19+,23+,24+/m0/s1
Inchi KeyADOWBZYFYUOPDL-ZZWUPXSGSA-N
Molecular SpeciesACID
Targets5.0
Bioactivities5.0
Np Likeness Score2.65
Records Key['5']
Records Name['Smenospongine C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure