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Ingredients

3'-hydroxy-4'-methoxyisoflavone-7-o-beta-d-glucoside

C22H22O10

Entity Type
Ingredients
Relation Groups
2
Relation Preview
13

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
3'-hydroxy-4'-methoxyisoflavone-7-o-beta-d-glucoside
Molecular Formula
C22H22O10
Molecular Weight
No data
Canonical SMILES
COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OC4C(C(C(C(O4)CO)O)O)O)O
Isomeric SMILES
COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
InChI
InChI=1S/C22H22O10/c1-29-15-5-2-10(6-14(15)24)13-9-30-16-7-11(3-4-12(16)18(13)25)31-22-21(28)20(27)19(26)17(8-23)32-22/h2-7,9,17,19-24,26-28H,8H2,1H3/t17-,19-,20+,21-,22-/m1/s1
Oral Bioavailability
No data
Drug Likeness
0.370
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
Related

Direct relations and traceable candidates grouped by relation type.

Active Targets

ingredient target7 Targets
06
PTGS2
prostaglandin-endoperoxide synthase 2
prostaglandin-endoperoxide synthase 2