Bioactive Compound Details

BioIDbio2380
Name9-DEOXYXENIOLIDE A
ChEMBL IDCHEMBL479135
Molecular FormulaC20H28O3
Molecular Weight316.44
Molecular Weight (Monoisotopic)316.2038
TypeSmall molecule
Max Phase--
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsNone
SmilesC=C1CC/C=C(\C)CC[C@@H]2/C(=C\C=C\C(C)(C)O)C(=O)OC[C@@H]12
InchiInChI=1S/C20H28O3/c1-14-7-5-8-15(2)18-13-23-19(21)17(16(18)11-10-14)9-6-12-20(3,4)22/h6-7,9,12,16,18,22H,2,5,8,10-11,13H2,1,3-4H3/b12-6+,14-7+,17-9+/t16-,18+/m1/s1
Inchi KeyPGYRSUFCGXKLPM-LJKAIXQMSA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities5.0
Np Likeness Score3.25
Records Key['3']
Records Name['9-Deoxyxeniolide A']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure