isoscoparin (Q27102895)

Isoscoparin (English)

5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one

5 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₂₂O₁₁

1 reference

Isoscoparin (English)

5 October 2016

canonical SMILES

COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)O)C4C(C(C(C(O4)CO)O)O)O)O)O

1 reference

Isoscoparin (English)

5 October 2016

isomeric SMILES

COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O

1 reference

Isomollupentin-O-glucosides from Cerastium arvense

Isoscoparin (English)

5 October 2016

1 reference

Arrhenatherum elatius

1 reference

Flavones and C-glycosylflavones from the leaves of some Arrhenatherum species

Centaurea montana

1 reference

Flavonoid glycoside variations in the progeny of wild specimens of Centaurea montana and comments on the origin of their natural diversity

Cyclanthera pedata

1 reference

Studies on the constituents of Cyclanthera pedata fruits: isolation and structure elucidation of new flavonoid glycosides and their antioxidant activity

Gentiana depressa

1 reference

Iridoids and flavones from Gentiana depressa

Great yellow gentian

1 reference

Chemotaxonomy of Gentianopsis: Xanthones, C-glycosylflavonoids and carbohydrates

Gentiana orbicularis

1 reference

Chemotaxonomy of Gentianopsis: Xanthones, C-glycosylflavonoids and carbohydrates

Gentiana sino-ornata

1 reference

High-performance liquid chromatographic analysis of secoiridoid flavone glycosides in closely related Gentiana species

Gentianella campestris

1 reference

Chemotaxonomy of Gentianopsis: Xanthones, C-glycosylflavonoids and carbohydrates

Gentianella serotina

1 reference

Chemotaxonomy of Gentianopsis: Xanthones, C-glycosylflavonoids and carbohydrates

Gentianopsis barbata

1 reference

Chemotaxonomy of Gentianopsis: Xanthones, C-glycosylflavonoids and carbohydrates

Gentianopsis barbellata

1 reference

Chemotaxonomy of Gentianopsis: Xanthones, C-glycosylflavonoids and carbohydrates

Gentianopsis ciliata

1 reference

Chemotaxonomy of Gentianopsis: Xanthones, C-glycosylflavonoids and carbohydrates

Gentianopsis crinita

1 reference

Chemotaxonomy of Gentianopsis: Xanthones, C-glycosylflavonoids and carbohydrates

Gentianopsis detonsa

1 reference

Chemotaxonomy of Gentianopsis: Xanthones, C-glycosylflavonoids and carbohydrates

Gentianopsis grandis

1 reference

Chemotaxonomy of Gentianopsis: Xanthones, C-glycosylflavonoids and carbohydrates

Gentianopsis lanceolata

1 reference

Chemotaxonomy of Gentianopsis: Xanthones, C-glycosylflavonoids and carbohydrates

Gentianopsis paludosa

1 reference

Chemotaxonomy of Gentianopsis: Xanthones, C-glycosylflavonoids and carbohydrates

Gentianopsis paludosa var. ovatodeltoidea

1 reference

Chemotaxonomy of Gentianopsis: Xanthones, C-glycosylflavonoids and carbohydrates

Gentianopsis simplex

1 reference

Chemotaxonomy of Gentianopsis: Xanthones, C-glycosylflavonoids and carbohydrates

Gentianopsis thermalis

1 reference

Chemotaxonomy of Gentianopsis: Xanthones, C-glycosylflavonoids and carbohydrates

Isatis tinctoria

2 references

A comprehensive metabolite profiling of Isatis tinctoria leaf extracts

Flavone C-Glycosides from Isatis tinctoria Leaves

Passiflora palmeri

1 reference

Flavonoids from Passiflora palmeri

Barbarea vulgaris

1 reference

Flavonoid glycosides of Barbarea vulgaris L. (Brassicaceae)

Citrullus colocynthis

1 reference

C-p-hydroxybenzoylglycoflavones from Citrullus colocynthis

Cymbopogon citratus

1 reference

Free radical scavengers and antioxidants from Lemongrass (Cymbopogon citratus (DC.) Stapf.).

Desmodium styracifolium

1 reference

Flavonoid compounds from Desmodium styracifolium of Vietnamese origin

Trichophorum cespitosum

1 reference

The flavonoids of Trichophorum cespitosum

Grona styracifolia

1 reference

Flavonoid compounds from Desmodium styracifolium of Vietnamese origin

Eremogone kansuensis

1 reference

Terpenoids and flavonoids from Arenaria kansuensis.

Arrhenatherum longifolium

1 reference

Flavones and C-glycosylflavones from the leaves of some Arrhenatherum species

Centaurea triumfettii

1 reference

Flavonoid glycoside variation in wild specimens of Centaurea triumfetti (Compositae) and comments on its relationships with Centaurea montana based on flavonoid fingerprints

Identifiers

InChI

InChI=1S/C22H22O11/c1-31-13-4-8(2-3-9(13)24)12-5-10(25)16-14(32-12)6-11(26)17(19(16)28)22-21(30)20(29)18(27)15(7-23)33-22/h2-6,15,18,20-24,26-30H,7H2,1H3/t15-,18-,20+,21-,22+/m1/s1

1 reference

Isoscoparin (English)

5 October 2016

2 references

Isoscoparin (English)

5 October 2016

ChEBI release 2020-09-01

CAS Registry Number

20013-23-4

1 reference

https://commonchemistry.cas.org/detail?cas_rn=20013-23-4

8 April 2021

1 reference

Isoscoparin (English)

5 October 2016

2 references

Isoscoparin (English)

matched by identifier from

5 October 2016

Reaxys registry number

1444632

1 reference

isoscoparin (English)

5 October 2016

ChEBI ID

18200

mapping relation type

3 references

isoscoparin (English)

5 October 2016

matched by identifier from

ChEBI release 2019-10-02

International Chemical Identifier

InChI

InChI=1S/C22H22O11/c1-31-13-4-8(2-3-9(13)24)12-5-10(25)16-14(32-12)6-11(26)17(19(16)28)22-21(30)20(29)18(27)15(7-23)33-22/h2-6,15,18,20-24,26-30H,7H2,1H3/t15-,18-,20+,21-,22+/m1/s1

1 reference

splash10-0006-0009000000-34202732a6bd970f3932

0 references

DSSTox substance ID

DTXSID70941996

1 reference

matched by identifier from

DSSTOX compound identifier

DTXCID601370416

0 references

KNApSAcK ID

C00001058

reason for deprecated rank

cannot be confirmed by other sources

1 reference

isoscoparin (English)

5 October 2016

1 reference

isoscoparin (English)