daidzein 7-O-beta-D-glucoside (CHEBI:42202)

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CHEBI:42202 - daidzein 7-O-β-D-glucoside

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ChEBI Name	daidzein 7-O-β-D-glucoside

ChEBI ID	CHEBI:42202

ChEBI ASCII Name	daidzein 7-O-beta-D-glucoside

Definition	A glycosyloxyisoflavone that is daidzein attached to a β-D-glucopyranosyl residue at position 7 via a glycosidic linkage. It is used in the treatment of alcohol dependency (antidipsotropic).

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:42197, CHEBI:4307, CHEBI:86150

Supplier Information	No supplier information found for this compound.

Download	Molfile XML SDF

more structures >>

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2.0627 0.2235 0.5415 C 0 0 0 0 0 0 0 0 0 0 0 0

2.9535 1.1659 0.0095 C 0 0 0 0 0 0 0 0 0 0 0 0

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2.6089 2.5131 -0.1028 C 0 0 0 0 0 0 0 0 0 0 0 0

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0.8400 0.7634 1.0263 C 0 0 0 0 0 0 0 0 0 0 0 0

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3.4584 3.4983 -0.6406 C 0 0 0 0 0 0 0 0 0 0 0 0

3.4957 4.8187 -0.1158 C 0 0 0 0 0 0 0 0 0 0 0 0

4.3411 5.8089 -0.6449 C 0 0 0 0 0 0 0 0 0 0 0 0

5.2137 5.4880 -1.6991 C 0 0 0 0 0 0 0 0 0 0 0 0

5.9897 6.3550 -2.1644 O 0 0 0 0 0 0 0 0 0 0 0 0

5.2148 4.1884 -2.2341 C 0 0 0 0 0 0 0 0 0 0 0 0

4.3295 3.2238 -1.7272 C 0 0 0 0 0 0 0 0 0 0 0 0

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1.4669 -3.0113 1.2638 H 0 0 0 0 0 0 0 0 0 0 0 0

3.1334 -1.6008 0.2710 H 0 0 0 0 0 0 0 0 0 0 0 0

1.0109 3.7657 0.3196 H 0 0 0 0 0 0 0 0 0 0 0 0

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1 2 1 0 0 0 0

3 2 1 0 0 0 0

3 4 1 0 0 0 0

3 29 1 0 0 0 0

4 5 1 0 0 0 0

5 6 1 0 0 0 0

5 25 1 0 0 0 0

6 7 1 0 0 0 0

7 8 4 0 0 0 0

7 17 4 0 0 0 0

8 9 4 0 0 0 0

9 10 4 0 0 0 0

10 11 1 0 0 0 0

10 16 4 0 0 0 0

11 12 2 0 0 0 0

11 13 1 0 0 0 0

13 14 2 0 0 0 0

13 18 1 0 0 0 0

14 15 1 0 0 0 0

15 16 1 0 0 0 0

16 17 4 0 0 0 0

18 19 4 0 0 0 0

18 24 4 0 0 0 0

19 20 4 0 0 0 0

20 21 4 0 0 0 0

21 22 1 0 0 0 0

21 23 4 0 0 0 0

23 24 4 0 0 0 0

25 26 1 0 0 0 0

25 27 1 0 0 0 0

27 28 1 0 0 0 0

27 29 1 0 0 0 0

29 30 1 0 0 0 0

1 31 1 0 0 0 0

2 32 1 0 0 0 0

2 33 1 0 0 0 0

3 34 1 0 0 0 0

5 35 1 0 0 0 0

8 36 1 0 0 0 0

9 37 1 0 0 0 0

14 38 1 0 0 0 0

17 39 1 0 0 0 0

19 40 1 0 0 0 0

20 41 1 0 0 0 0

22 42 1 0 0 0 0

23 43 1 0 0 0 0

24 44 1 0 0 0 0

25 45 1 0 0 0 0

26 46 1 0 0 0 0

27 47 1 0 0 0 0

28 48 1 0 0 0 0

29 49 1 0 0 0 0

30 50 1 0 0 0 0

M END): 27 ms

reading 50 atoms

ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false

1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them.

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50 atoms created

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Wikipedia	License
Isatin, also known as tribulin, is an organic compound derived from indole with formula C8H5NO2. The compound was first obtained by Otto Linné Erdman and Auguste Laurent in 1840 as a product from the oxidation of indigo dye by nitric acid and chromic acids. Isatin is a well-known natural product which can be found in plants of the genus Isatis, in Couroupita guianensis, and also in humans, as a metabolic derivative of adrenaline. It looks like a red-orange powder, and it is usually employed as building block for the synthesis of a wide variety of biologically active compounds including antitumorals, antivirals, anti-HIVs, and antituberculars. The isatin core is also responsible for the color of “Maya blue” and “Maya yellow” dyes.
Read full article at Wikipedia

Formula

C21H20O9

Net Charge

Average Mass

416.37810

Monoisotopic Mass

416.11073

InChI

InChI=1S/C21H20O9/c22-8-16-18(25)19(26)20(27)21(30-16)29-12-5-6-13-15(7-12)28-9-14(17(13)24)10-1-3-11(23)4-2-10/h1-7,9,16,18-23,25-27H,8H2/t16-,18-,19+,20-,21-/m1/s1

InChIKey

KYQZWONCHDNPDP-QNDFHXLGSA-N

SMILES

OC[C@H]1O[C@@H](Oc2ccc3c(c2)occ(-c2ccc(O)cc2)c3=O)[C@H](O)[C@@H](O)[C@@H]1O

Metabolite of Species	Details
Glycine max (NCBI:txid3847)	See: PubMed

Roles Classification
Biological Role(s):	plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

View more via ChEBI Ontology

ChEBI Ontology
Outgoing	daidzein 7-O-β-D-glucoside (CHEBI:42202) has functional parent daidzein (CHEBI:28197) daidzein 7-O-β-D-glucoside (CHEBI:42202) has role plant metabolite (CHEBI:76924) daidzein 7-O-β-D-glucoside (CHEBI:42202) is a 7-hydroxyisoflavones 7-O-β-D-glucoside (CHEBI:140301) daidzein 7-O-β-D-glucoside (CHEBI:42202) is a hydroxyisoflavone (CHEBI:38755) daidzein 7-O-β-D-glucoside (CHEBI:42202) is a monosaccharide derivative (CHEBI:63367)

Incoming	malonyldaidzin (CHEBI:80371) has functional parent daidzein 7-O-β-D-glucoside (CHEBI:42202)

IUPAC Names

3-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl β-D-glucopyranoside

7-(β-D-glucopyranosyloxy)-3-(4-hydroxyphenyl)-4H-chromen-4-one

Synonyms	Sources
daidzein 7-glucoside	ChemIDplus
daidzein 7-O-β-D-glucoside	UniProt
daidzein 7-O-glucoside	ChemIDplus
Daidzein 7-O-glucoside	KEGG COMPOUND
Daidzin	KEGG COMPOUND
DAIDZIN	PDBeChem
daidzoside	ChemIDplus

Manual Xrefs	Databases
C00002518	KNApSAcK
C10216	KEGG COMPOUND
CPD-3424	MetaCyc
Daidzin	Wikipedia
DB02115	DrugBank
DZN	PDBeChem
HMDB0033991	HMDB
LMPK12050013	LIPID MAPS
View more database links

Registry Numbers	Types	Sources
552-66-9	CAS Registry Number	ChemIDplus
59741	Reaxys Registry Number	Reaxys
59741	Beilstein Registry Number	Beilstein

Citations	Types	Sources
18613661	PubMed citation	Europe PMC
24154619	PubMed citation	Europe PMC
24483603	PubMed citation	Europe PMC
25209298	PubMed citation	Europe PMC
25236207	PubMed citation	Europe PMC
25746576	PubMed citation	Europe PMC
25845411	PubMed citation	Europe PMC
8433985	PubMed citation	Europe PMC

Last Modified

03 March 2018

CHEBI:42202 - daidzein 7-O-β-D-glucoside

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