Bioactive Compound Details

BioIDbio1073
NameJOLKINOATE C
ChEMBL IDCHEMBL2315613
Molecular FormulaC26H38O5
Molecular Weight430.59
Molecular Weight (Monoisotopic)430.2719
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
Synonymsjolkinoate C
SmilesCCCC(=O)O[C@H]1[C@@H](C)C[C@]2(OC(C)=O)C(=O)/C(C)=C/[C@@H]3[C@H](CC/C(C)=C/[C@@H]12)C3(C)C
InchiInChI=1S/C26H38O5/c1-8-9-22(28)30-23-17(4)14-26(31-18(5)27)21(23)12-15(2)10-11-19-20(25(19,6)7)13-16(3)24(26)29/h12-13,17,19-21,23H,8-11,14H2,1-7H3/b15-12+,16-13+/t17-,19-,20+,21-,23-,26+/m0/s1
Inchi KeyNUKGHEPOCXWWSS-ZWUUENLNSA-N
Molecular SpeciesNEUTRAL
Targets5.0
Bioactivities22.0
Np Likeness Score2.9
Records Key['4, jolkinoate C', '3']
Records Name['15beta-Acetoxy-3beta-butanoatelathyra-5E,12E-dien-14-one', 'Jolkinoate C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure