01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 4
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- 3-dehydroshikimate
- Molecular Formula
- C7H8O5
- Molecular Weight
- No data
- Canonical SMILES
- C1C(C(C(=O)C=C1C(=O)O)O)O
- Isomeric SMILES
- C1[C@H]([C@@H](C(=O)C=C1C(=O)O)O)O
- InChI
- InChI=1S/C7H8O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,5-6,9-10H,2H2,(H,11,12)/t5-,6-/m1/s1
- Oral Bioavailability
- 46.088
- Drug Likeness
- 0.456
- 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