Aspalathin

SANC01088

Entry name:

Aspalathin

Formula:

C₂₁H₂₄O₁₁

Molecular mass:

452.4

ChEMBL ID:

SCHEMBL1933939

ZINC ID:

ZINC95910950

PubChem ID:

11282394

CAS No.

6027-43-6

2D Image 3D View

SMILES:

C1=CC(=C(C=C1CCC(=O)C2=C(C=C(C(=C2O)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O)O

Scaffold SMILES:

c1ccccc1
C1CCOCC1
O=C(CCc1ccccc1)c1ccccc1
O=C(CCc1ccccc1)c1cccc(C2CCCCO2)c1

References

Omer (2019) Safety Assessment of Phytochemicals Derived from the Globalized South African Rooibos Tea (Aspalathus linearis) through Interaction with CYP, PXR, and P-gp

Classifications

Glycoside

Linear 1,3-diarylpropanoids (Classyfire)

Other Names

None Recorded

Source Organisms

Aspalathus linearis

Compound Uses

None Recorded