Chem
J-GLOBAL ID：200907037295868105   Nikkaji number：J589.976A

Buntanine

ブンタニン
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： C20H21NO5
Molecular formula furigana： C20-H21-N-O5
Molecular weight： 355.390
InChI： InChI=1S/C20H21NO5/c1-10(2)5-6-11-15(23)9-13-16(18(11)24)19(25)12-7-8-14(22)20(26-4)17(12)21(13)3/h5,7-9,22-24H,6H2,1-4H3
InChI key： XUUGIWDILRFFER-UHFFFAOYSA-N
SMILES： COc1c(O)ccc2c1n(C)c1cc(O)c(CC=C(C)C)c(O)c1c2=O
Systematic name  (3)：
  • 1,3,6-トリヒドロキシ-5-メトキシ-10-メチル-2-(3-メチル-2-ブテニル)-9(10H)-アクリジノン
  • 1,3,6-トリヒドロキシ-5-メトキシ-10-メチル-2-(3-メチルブタ-2-エン-1-イル)-9,10-ジヒドロアクリジン-9-オン
  • 1,3,6-trihydroxy-5-methoxy-10-methyl-2-(3-methylbut-2-en-1-yl)-9,10-dihydroacridin-9-one
Other name (3)：
  • ブンタニン
  • Buntanine
  • 1,3,6-Trihydroxy-5-methoxy-10-methyl-2-(3-methyl-2-butenyl)-9(10H)-acridinone
CAS registry number： 119116-85-7
KEGG COMPOUND： C10653
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