01
Ingredients
(3e,6s,7r)-3-butylidene-6,7-dihydroxy-4,5,6,7-tetrahydroisobenzofuran-1-one
C12H16O4
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 10
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- (3e,6s,7r)-3-butylidene-6,7-dihydroxy-4,5,6,7-tetrahydroisobenzofuran-1-one
- Molecular Formula
- C12H16O4
- Molecular Weight
- No data
- Canonical SMILES
- CCCC=C1C2=C(C(C(CC2)O)O)C(=O)O1
- Isomeric SMILES
- CCC/C=C/1\C2=C([C@H]([C@H](CC2)O)O)C(=O)O1
- InChI
- InChI=1S/C12H16O4/c1-2-3-4-9-7-5-6-8(13)11(14)10(7)12(15)16-9/h4,8,11,13-14H,2-3,5-6H2,1H3/b9-4+/t8-,11-/m0/s1
- Oral Bioavailability
- 34.343
- Drug Likeness
- 0.688
- 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