01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 9
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Auxin a
- Molecular Formula
- C18H32O5
- Molecular Weight
- No data
- Canonical SMILES
- CCC(C)C1CC(C(=C1)C(CC(C(C(=O)O)O)O)O)C(C)CC
- Isomeric SMILES
- CCC(C)C1CC(C(=C1)C(CC(C(C(=O)O)O)O)O)C(C)CC
- InChI
- InChI=1S/C18H32O5/c1-5-10(3)12-7-13(11(4)6-2)14(8-12)15(19)9-16(20)17(21)18(22)23/h8,10-13,15-17,19-21H,5-7,9H2,1-4H3,(H,22,23)
- Oral Bioavailability
- No data
- Drug Likeness
- 0.486
- 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 ingredient1 Herbs