01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 5
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- 4-nerolidylcatechol
- Molecular Formula
- C21H30O2
- Molecular Weight
- No data
- Canonical SMILES
- CC(=CCCC(=CCCC(C)(C=C)C1=CC(=C(C=C1)O)O)C)C
- Isomeric SMILES
- CC(=CCC/C(=C/CCC(C)(C=C)C1=CC(=C(C=C1)O)O)/C)C
- InChI
- InChI=1S/C21H30O2/c1-6-21(5,18-12-13-19(22)20(23)15-18)14-8-11-17(4)10-7-9-16(2)3/h6,9,11-13,15,22-23H,1,7-8,10,14H2,2-5H3/b17-11+
- Oral Bioavailability
- No data
- Drug Likeness
- 0.455
- 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.