Chem
J-GLOBAL ID：200907000530507971   Nikkaji number：J20.558C

AA-861

AA-861
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C21H26O3
Molecular formula furigana： C21-H26-O3
Molecular weight： 326.436
InChI： InChI=1S/C21H26O3/c1-16-17(2)21(24)19(18(3)20(16)23)14-12-10-8-6-4-5-7-9-11-13-15-22/h22H,5,7-10,12,14-15H2,1-3H3
InChI key： WDEABJKSGGRCQA-UHFFFAOYSA-N
SMILES： CC1=C(C)C(=O)C(=C(C)C1=O)CCCCC#CCCCC#CCO
Systematic name  (4)：
  • 2-(12-ヒドロキシ-5,10-ドデカジイニル)-3,5,6-トリメチル-2,5-シクロヘキサジエン-1,4-ジオン
  • 2-(12-ヒドロキシドデカン-5,10-ジイニル)-3,5,6-トリメチル-p-ベンゾキノン
  • 2-(12-ヒドロキシドデカ-5,10-ジイン-1-イル)-3,5,6-トリメチルシクロヘキサ-2,5-ジエン-1,4-ジオン
  • 2-(12-hydroxydodeca-5,10-diyn-1-yl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione
Other name (7)：
  • AA-861
  • 2-(12-Hydroxy-5,10-dodecadiynyl)-3,5,6-trimethyl-2,5-cyclohexadiene-1,4-dione
  • ドセベノン
  • Docebenone
  • 2-(12-Hydroxydodecane-5,10-diynyl)-3,5,6-trimethyl-p-benzoquinone
Show all
CAS registry number： 80809-81-0
KEGG DRUG： D03882
KEGG COMPOUND： C01349
Application (2)：
enzyme inhibitor ,  nervinum
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