01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 14
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Stock1n-58770
- Molecular Formula
- C16H18O9
- Molecular Weight
- No data
- Canonical SMILES
- C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O
- Isomeric SMILES
- C1[C@@H]([C@@H]([C@H](C[C@]1(C(=O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O
- InChI
- InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m0/s1
- Oral Bioavailability
- 13.918
- Drug Likeness
- 0.234
- 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 ingredient6 Herbs