(Q105154819)

English

4,6,13,14-tetrahydroxy-12-{[(1S)-2,6,6-trimethylcyclohex-2-en-1-yl]methyl}-9,17-dioxatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁶]heptadeca-1(10),3,5,7,11(16),12,14-heptaen-2-one

chemical compound

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instance of

type of chemical entity

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1 reference

436.152203108 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

4,6,13,14-tetrahydroxy-12-{[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]methyl}-9,17-dioxatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁶]heptadeca-1(10),3,5,7,11(16),12,14-heptaen-2-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₅H₂₄O₇

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canonical SMILES

O=C1C=2OC3=CC(O)=C(O)C(=C3C2OC=4C=C(O)C=C(O)C14)CC5C(=CCCC5(C)C)C

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isomeric SMILES

CC1=CCCC(C)(C)[C@@H]1Cc1c(O)c(O)cc2oc3c(=O)c4c(O)cc(O)cc4oc3c12

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found in taxon

Helminthostachys zeylanica

1 reference

stated in

Anti-inflammatory flavonoids from the rhizomes of Helminthostachys zeylanica.

Identifiers

InChI

InChI=1S/C25H24O7/c1-11-5-4-6-25(2,3)14(11)9-13-19-18(10-16(28)21(13)29)32-24-22(30)20-15(27)7-12(26)8-17(20)31-23(19)24/h5,7-8,10,14,26-29H,4,6,9H2,1-3H3/t14-/m1/s1

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InChIKey

LONDNVXJGNYQEO-CQSZACIVSA-N

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(Q105154819)

4,6,13,14-tetrahydroxy-12-{[(1S)-2,6,6-trimethylcyclohex-2-en-1-yl]methyl}-9,17-dioxatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁶]heptadeca-1(10),3,5,7,11(16),12,14-heptaen-2-one

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