Chem
J-GLOBAL ID：201207009524262641   Nikkaji number：J3.038.098C

Aciculatin

アシクラチン
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： C22H22O8
Molecular formula furigana： C22-H22-O8
Molecular weight： 414.410
InChI： InChI=1S/C22H22O8/c1-10-21(27)15(26)9-18(29-10)20-17(28-2)8-14(25)19-13(24)7-16(30-22(19)20)11-3-5-12(23)6-4-11/h3-8,10,15,18,21,23,25-27H,9H2,1-2H3/t10-,15+,18-,21-/m1/s1
InChI key： RUTGHCUXABPJTJ-DJIPSUEUSA-N
SMILES： COc1cc(O)c2c(oc(cc2=O)c2ccc(O)cc2)c1[C@H]1C[C@H](O)[C@H](O)[C@@H](C)O1
Systematic name  (3)：
  • 2-(4-ヒドロキシフェニル)-5-ヒドロキシ-7-メトキシ-8-[(2R)-4α,5α-ジヒドロキシ-6β-メチルテトラヒドロ-2H-ピラン-2β-イル]-4H-1-ベンゾピラン-4-オン
  • 8-[(2R,4S,5S,6R)-4,5-ジヒドロキシ-6-メチルオキサン-2-イル]-5-ヒドロキシ-2-(4-ヒドロキシフェニル)-7-メトキシ-4H-クロメン-4-オン
  • 8-[(2R,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-chromen-4-one
Other name (3)：
  • 2-(4-Hydroxyphenyl)-5-hydroxy-7-methoxy-8-[(2R)-4α,5α-dihydroxy-6β-methyltetrahydro-2H-pyran-2β-yl]-4H-1-benzopyran-4-one
  • アシクラチン
  • Aciculatin
Application (2)：
antitumor action ,  anti-inflammatoryaction
Thsaurus map：
Thesaurus Map

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