01
Ingredients
(2s,3s)-2-(3,4-dihydroxyphenyl)-7-hydroxy-4-[(e)-3-hydroxy-3-oxoprop-1-enyl]-2,3-dihydrobenzofuran-3-carboxylic acid
C18H14O8
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 9
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- (2s,3s)-2-(3,4-dihydroxyphenyl)-7-hydroxy-4-[(e)-3-hydroxy-3-oxoprop-1-enyl]-2,3-dihydrobenzofuran-3-carboxylic acid
- Molecular Formula
- C18H14O8
- Molecular Weight
- No data
- Canonical SMILES
- C1=CC(=C(C=C1C2C(C3=C(C=CC(=C3O2)O)C=CC(=O)O)C(=O)O)O)O
- Isomeric SMILES
- C1=CC(=C(C=C1[C@@H]2[C@H](C3=C(C=CC(=C3O2)O)/C=C/C(=O)O)C(=O)O)O)O
- InChI
- InChI=1S/C18H14O8/c19-10-4-2-9(7-12(10)21)16-15(18(24)25)14-8(3-6-13(22)23)1-5-11(20)17(14)26-16/h1-7,15-16,19-21H,(H,22,23)(H,24,25)/b6-3+/t15-,16+/m0/s1
- Oral Bioavailability
- 2.622
- Drug Likeness
- 0.413
- 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.
Active Targets
ingredient target8 Targets
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