aspalathin (Q2866762)

inferred from isomeric SMILES

stereoisomer of

VCPUQYKWJRESOC-UBFQGWSASA-N

2 references

inferred from InChIKey

imported from Wikimedia project

inferred from InChI

chemical formula

C₂₁H₂₄O₁₀

0 references

canonical SMILES

O=C(C1=C(O)C=C(O)C(=C1O)C2OC(CO)C(O)C(O)C2O)CCC3=CC=C(O)C(O)=C3

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isomeric SMILES

c1cc(c(cc1CCC(=O)c2cc(c(cc2O)O)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O

1 reference

6 references

The antimutagenic activity of the major flavonoids of rooibos (Aspalathus linearis): some dose-response effects on mutagen activation-flavonoid interactions.

Unfermented rooibos tea: quantitative characterization of flavonoids by HPLC-UV and determination of the total antioxidant activity

HPLC quantification of the dihydrochalcones, aspalathin and nothofagin in rooibos tea (Aspalathus linearis) as affected by processing

Hypoglycemic effect of aspalathin, a rooibos tea component from Aspalathus linearis, in type 2 diabetic model db/db mice

Phenolic metabolites from rooibos tea (Aspalathus linearis)

Safety Assessment of Phytochemicals Derived from the Globalized South African Rooibos Tea (Aspalathus linearis) through Interaction with CYP, PXR, and Pgp

Commons category

Aspalathin

0 references

Identifiers

InChI

InChI=1S/C21H24O11/c22-7-14-17(28)19(30)20(31)21(32-14)16-13(27)6-12(26)15(18(16)29)10(24)4-2-8-1-3-9(23)11(25)5-8/h1,3,5-6,14,17,19-23,25-31H,2,4,7H2/t14-,17-,19+,20-,21+/m1/s1

1 reference

reference URL

https://pubchem.ncbi.nlm.nih.gov/compound/11282394

April 2018

1 reference

ChEBI release 2020-09-01

CAS Registry Number

6027-43-6

1 reference

CAS (formerly Chemical Abstracts Service)

imported from Wikimedia project

25 January 2022

PubChem CID

11282394

2 references

Spanish Wikipedia

imported from Wikimedia project

ChEBI ID

79078

mapping relation type

exact match

2 references

Spanish Wikipedia

International Chemical Identifier

InChI

InChI=1S/C21H24O11/c22-7-14-17(28)19(30)20(31)21(32-14)16-13(27)6-12(26)15(18(16)29)10(24)4-2-8-1-3-9(23)11(25)5-8/h1,3,5-6,14,17,19-23,25-31H,2,4,7H2/t14-,17-,19+,20-,21+/m1/s1

SureChEMBL ID

SCHEMBL1933939

2 references

inferred from InChIKey

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

1 reference

MassBank accession ID

0 references

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2 references

DSSTOX compound identifier

DTXCID80677693

0 references

EC number

806-260-9

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.233.299

ECHA Substance Infocard ID

27 December 2018

title

[No public or meaningful name is available] (English)

quotation

CAS no.: 6027-43-6 (English)

100.233.299

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.233.299