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Herb Integrative Database
Traditional Medicine Data Platform
Ingredients

Isoquercetrin

C21H20O12

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Entity Type
Ingredients
Relation Groups
2
Relation Preview
10

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
Isoquercetrin
Molecular Formula
C21H20O12
Molecular Weight
No data
Canonical SMILES
C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OCC4C(C(C(C(O4)O)O)O)O)O)O
Isomeric SMILES
C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OCC4[C@H]([C@H]([C@@H](C(O4)O)O)O)O)O)O
InChI
InChI=1S/C21H20O12/c22-8-4-11(25)14-12(5-8)32-19(7-1-2-9(23)10(24)3-7)20(16(14)27)31-6-13-15(26)17(28)18(29)21(30)33-13/h1-5,13,15,17-18,21-26,28-30H,6H2/t13?,15-,17-,18+,21?/m1/s1
Oral Bioavailability
3.859
Drug Likeness
0.229
DL Score
No data
Caco-2 Permeability
No data
ALogP
No data
Bioavailability Score
No data

Identifiers

InChI Key
No data
PubChem CID
No data

Description and Extensions

Toxicity Information
No data
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Direct relations and traceable candidates grouped by relation type.

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