Bioactive Compound Details

BioIDbio727
NameLYCERNUIC KETONE C
ChEMBL IDCHEMBL509120
Molecular FormulaC30H48O4
Molecular Weight472.71
Molecular Weight (Monoisotopic)472.3553
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
Synonymslycernuic ketone C
SmilesCC1(C)[C@H](O)CC[C@]2(C)[C@H]3CC[C@H]4[C@@](C)(CC[C@@H]5[C@]4(C)CC[C@@H](O)[C@]5(C)CO)CC3=CC(=O)[C@@H]12
InchiInChI=1S/C30H48O4/c1-26(2)23(33)10-13-28(4)19-7-8-21-27(3,16-18(19)15-20(32)25(26)28)12-9-22-29(21,5)14-11-24(34)30(22,6)17-31/h15,19,21-25,31,33-34H,7-14,16-17H2,1-6H3/t19-,21-,22+,23+,24+,25-,27-,28+,29+,30+/m0/s1
Inchi KeyQLFHDTVFRVKLCZ-ANGLHQKGSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score2.89
Records Key['6, lycernuic ketone C']
Records Name['3alpha,21beta,24-trihydroxylserrat-14-en-16-one']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure