Bioactive Compound Details

BioIDbio150
NameLYCERNUIC ACID C
ChEMBL IDCHEMBL502419
Molecular FormulaC30H50O7
Molecular Weight522.72
Molecular Weight (Monoisotopic)522.3557
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
Synonymslycernuic acid C
SmilesC[C@@]12CC[C@@H]3[C@](C)(CC[C@H](O)[C@]3(C)C(=O)O)[C@H]1CC[C@@H]1[C@@]3(C)CC[C@@H](O)[C@](C)(CO)[C@@H]3C[C@H](O)[C@@]1(O)C2
InchiInChI=1S/C30H50O7/c1-25-11-8-18-26(2,13-10-22(33)29(18,5)24(35)36)17(25)6-7-19-27(3)12-9-21(32)28(4,16-31)20(27)14-23(34)30(19,37)15-25/h17-23,31-34,37H,6-16H2,1-5H3,(H,35,36)/t17-,18+,19+,20+,21+,22-,23-,25-,26+,27+,28+,29+,30+/m0/s1
Inchi KeyGXXMOCUQFZJZRW-MEWBIXJBSA-N
Molecular SpeciesACID
Targets1.0
Bioactivities1.0
Np Likeness Score2.51
Records Key['1, lycernuic acid C']
Records Name['3beta,14alpha,15alpha,21beta,29-pentahydroxyserratane-24-oic acid']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure