01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 6
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Aeginetic acid
- Molecular Formula
- C15H24O4
- Molecular Weight
- No data
- Canonical SMILES
- CC(=CC(=O)O)C=CC1(C(CCCC1(C)O)(C)C)O
- Isomeric SMILES
- C/C(=C\C(=O)O)/C=C/[C@@]1([C@](CCCC1(C)C)(C)O)O
- InChI
- InChI=1S/C15H24O4/c1-11(10-12(16)17)6-9-15(19)13(2,3)7-5-8-14(15,4)18/h6,9-10,18-19H,5,7-8H2,1-4H3,(H,16,17)/b9-6+,11-10+/t14-,15-/m1/s1
- Oral Bioavailability
- 48.315
- Drug Likeness
- 0.542
- 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.