Bioactive Compound Details

BioIDbio204
NameSARCOTRINE C
ChEMBL IDCHEMBL484240
Molecular FormulaC30H45NO4
Molecular Weight483.69
Molecular Weight (Monoisotopic)483.3349
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsSarcotrine C
SmilesCCC(C)CN1CC=C(CCC/C(C)=C/C=C/[C@@H](C)CC/C=C(/C)C[C@@H]2OC(=O)C(C)=C2O)C1=O
InchiInChI=1S/C30H45NO4/c1-7-21(2)20-31-18-17-26(29(31)33)16-10-14-23(4)12-8-11-22(3)13-9-15-24(5)19-27-28(32)25(6)30(34)35-27/h8,11-12,15,17,21-22,27,32H,7,9-10,13-14,16,18-20H2,1-6H3/b11-8+,23-12+,24-15-/t21?,22-,27+/m1/s1
Inchi KeyYVPHTXBDJHDSKU-JKBLPMMQSA-N
Molecular SpeciesACID
Targets5.0
Bioactivities5.0
Np Likeness Score2.43
Records Key['9']
Records Name['Sarcotrine C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure