Chem
J-GLOBAL ID：200907083586112450   Nikkaji number：J14.254I

Psoralidin

プソラリジン
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： C20H16O5
Molecular formula furigana： C20-H16-O5
Molecular weight： 336.343
InChI： InChI=1S/C20H16O5/c1-10(2)3-4-11-7-14-17(9-15(11)22)25-20(23)18-13-6-5-12(21)8-16(13)24-19(14)18/h3,5-9,21-22H,4H2,1-2H3
InChI key： YABIJLLNNFURIJ-UHFFFAOYSA-N
SMILES： CC(=CCc1cc2c3oc4cc(O)ccc4c3c(=O)oc2cc1O)C
Systematic name  (3)：
  • 3,9-ジヒドロキシ-2-(3-メチル-2-ブテニル)-6H-ベンゾフロ[3,2-c][1]ベンゾピラン-6-オン
  • 5,14-ジヒドロキシ-4-(3-メチルブタ-2-エン-1-イル)-8,17-ジオキサテトラシクロ[8.7.0.02,7.011,16]ヘプタデカ-1(10),2,4,6,11(16),12,14-ヘプタエン-9-オン
  • 5,14-dihydroxy-4-(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaen-9-one
Other name (3)：
  • プソラリジン
  • Psoralidin
  • 3,9-Dihydroxy-2-(3-methyl-2-butenyl)-6H-benzofuro[3,2-c][1]benzopyran-6-one
CAS registry number： 18642-23-4
KEGG COMPOUND： C10523
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