Bioactive Compound Details

BioIDbio2391
Name9-O-METHYLSCYTALOL A
ChEMBL IDCHEMBL1165380
Molecular FormulaC16H20O6
Molecular Weight308.33
Molecular Weight (Monoisotopic)308.126
TypeSmall molecule
Max Phase--
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsNone
SmilesCOc1cc(OC)c2c(c1)[C@H](O)C1C[C@](C)(O)OCC1C2=O
InchiInChI=1S/C16H20O6/c1-16(19)6-10-11(7-22-16)15(18)13-9(14(10)17)4-8(20-2)5-12(13)21-3/h4-5,10-11,14,17,19H,6-7H2,1-3H3/t10?,11?,14-,16+/m0/s1
Inchi KeyPTYCCMDOLVCXFB-VPNQNPPWSA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities2.0
Np Likeness Score2.28
Records Key['1']
Records Name['9-O-methylscytalol A']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure