01
Ingredients
4h-1-benzopyran-4-one,2-(3-(beta-d-glucopyranosyloxy)-4-hydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-
C22H22O13
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 9
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- 4h-1-benzopyran-4-one,2-(3-(beta-d-glucopyranosyloxy)-4-hydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-
- Molecular Formula
- C22H22O13
- Molecular Weight
- No data
- Canonical SMILES
- COC1=C(C(=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)OC4C(C(C(C(O4)CO)O)O)O)O
- Isomeric SMILES
- COC1=C(C(=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
- InChI
- InChI=1S/C22H22O13/c1-32-11-2-7(21-19(30)17(28)14-9(25)4-8(24)5-10(14)33-21)3-12(15(11)26)34-22-20(31)18(29)16(27)13(6-23)35-22/h2-5,13,16,18,20,22-27,29-31H,6H2,1H3/t13-,16-,18+,20-,22-/m1/s1
- Oral Bioavailability
- 20.961
- Drug Likeness
- 0.224
- 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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