01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 6
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- 9-oxonerolidol
- Molecular Formula
- C15H24O2
- Molecular Weight
- No data
- Canonical SMILES
- CC(=CC(=O)CC(=CCCC(C)(C=C)O)C)C
- Isomeric SMILES
- CC(=CC(=O)C/C(=C/CC[C@@](C)(C=C)O)/C)C
- InChI
- InChI=1S/C15H24O2/c1-6-15(5,17)9-7-8-13(4)11-14(16)10-12(2)3/h6,8,10,17H,1,7,9,11H2,2-5H3/b13-8+/t15-/m1/s1
- Oral Bioavailability
- 36.157
- 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.
Source Herbs
herb ingredient3 Herbs