Bioactive Compound Details

BioIDbio197489
NameNone
ChEMBL IDCHEMBL522062
Molecular FormulaC24H36O7
Molecular Weight436.55
Molecular Weight (Monoisotopic)436.2461
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms2-Acetoxystolonidiol Acetate
SmilesC=C1CC[C@@H]2O[C@]2(COC(C)=O)C[C@H]2O[C@@]23[C@H](C(C)(C)O)CC[C@@]3(C)[C@H](OC(C)=O)C1
InchiInChI=1S/C24H36O7/c1-14-7-8-18-23(30-18,13-28-15(2)25)12-20-24(31-20)17(21(4,5)27)9-10-22(24,6)19(11-14)29-16(3)26/h17-20,27H,1,7-13H2,2-6H3/t17-,18-,19+,20+,22-,23-,24-/m0/s1
Inchi KeyJGNUHKAFRLWUOA-PXJJFVDNSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities2.0
Np Likeness Score3.26
Records Key['8']
Records Name['2-acetoxystolonidiol acetate']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure