Bioactive Compound Details

BioIDbio2536
NameNone
ChEMBL IDCHEMBL515493
Molecular FormulaC28H40O3
Molecular Weight424.63
Molecular Weight (Monoisotopic)424.2977
TypeSmall molecule
Max Phase--
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
Synonyms9(11)-Dehydroaxinysterol
SmilesC=C(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC=C1[C@]23C=C[C@]2(C[C@@H](O)CC[C@]12C)OO3
InchiInChI=1S/C28H40O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h7-8,12,15-16,19-23,29H,1,9-11,13-14,17H2,2-6H3/b8-7+/t19-,20+,21-,22+,23+,25+,26+,27+,28-/m0/s1
Inchi KeyUUHVMJGTJKDDFG-LEOBWYFPSA-N
Molecular SpeciesNEUTRAL
Targets35.0
Bioactivities39.0
Np Likeness Score3.74
Records Key['241']
Records Name['9(11)-dehydroaxinysterol']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure