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Ingredients

5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

C22H22O11

Entity Type
Ingredients
Relation Groups
2
Relation Preview
5

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Molecular Formula
C22H22O11
Molecular Weight
No data
Canonical SMILES
COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O
Isomeric SMILES
COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O
InChI
InChI=1S/C22H22O11/c1-30-15-4-9(2-3-11(15)24)14-7-13(26)18-12(25)5-10(6-16(18)32-14)31-22-21(29)20(28)19(27)17(8-23)33-22/h2-7,17,19-25,27-29H,8H2,1H3/t17-,19-,20+,21-,22-/m1/s1
Oral Bioavailability
8.005
Drug Likeness
0.302
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.

Source Herbs

herb ingredient4 Herbs
02
水红花子
Shui Hong Hua Zi / Fructus Polygoni Orientalis; Polygoni Orientalis Fructus
Shui Hong Hua ZiFructus Polygoni Orientalis; Polygoni Orientalis Fructus
03
菊花
Ju Hua / Chrysanthemi Flos; Flos Chrysanthemi
Ju HuaChrysanthemi Flos; Flos Chrysanthemi