01
Ingredients
6-methoxyl-2-acetyl-3-methyl-1,4-naphthoquinone-8-o-beta-d-glucopyranoside
C20H22O10
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 8
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- 6-methoxyl-2-acetyl-3-methyl-1,4-naphthoquinone-8-o-beta-d-glucopyranoside
- Molecular Formula
- C20H22O10
- Molecular Weight
- No data
- Canonical SMILES
- CC1=C(C(=O)C2=C(C1=O)C=C(C=C2OC3C(C(C(C(O3)CO)O)O)O)OC)C(=O)C
- Isomeric SMILES
- CC1=C(C(=O)C2=C(C1=O)C=C(C=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)OC)C(=O)C
- InChI
- InChI=1S/C20H22O10/c1-7-13(8(2)22)17(25)14-10(15(7)23)4-9(28-3)5-11(14)29-20-19(27)18(26)16(24)12(6-21)30-20/h4-5,12,16,18-21,24,26-27H,6H2,1-3H3/t12-,16-,18+,19-,20-/m1/s1
- Oral Bioavailability
- 33.307
- Drug Likeness
- 0.441
- 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
Related Entities
Direct relations and traceable candidates grouped by relation type.
Source Herbs
herb ingredient2 Herbs