Bioactive Compound Details

BioIDbio232
NameLYCERNUIC ACID C TETRAACETATE
ChEMBL IDCHEMBL486238
Molecular FormulaC38H58O11
Molecular Weight690.87
Molecular Weight (Monoisotopic)690.3979
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsLycernuic Acid C Tetraacetate
SmilesCC(=O)OC[C@]1(C)[C@@H]2C[C@H](OC(C)=O)[C@@]3(O)C[C@]4(C)CC[C@@H]5[C@](C)(CC[C@H](OC(C)=O)[C@]5(C)C(=O)O)[C@H]4CC[C@@H]3[C@@]2(C)CC[C@H]1OC(C)=O
InchiInChI=1S/C38H58O11/c1-21(39)46-20-36(8)28-18-31(49-24(4)42)38(45)19-33(5)15-12-26-34(6,17-14-30(48-23(3)41)37(26,9)32(43)44)25(33)10-11-27(38)35(28,7)16-13-29(36)47-22(2)40/h25-31,45H,10-20H2,1-9H3,(H,43,44)/t25-,26+,27+,28+,29+,30-,31-,33-,34+,35+,36+,37+,38+/m0/s1
Inchi KeyVMXISGBTRUTHGY-OSCPPJABSA-N
Molecular SpeciesACID
Targets1.0
Bioactivities1.0
Np Likeness Score2.17
Records Key['1a']
Records Name['Lycernuic acid C tetraacetate']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure