01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 6
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Rosenonolactone
- Molecular Formula
- C20H28O3
- Molecular Weight
- No data
- Canonical SMILES
- CC1(CCC2(C(C1)C(=O)CC3C24CCCC3(C(=O)O4)C)C)C=C
- Isomeric SMILES
- C[C@]1(CC[C@@]2([C@@H](C1)C(=O)C[C@@H]3[C@]24CCC[C@@]3(C(=O)O4)C)C)C=C
- InChI
- InChI=1S/C20H28O3/c1-5-17(2)9-10-19(4)13(12-17)14(21)11-15-18(3)7-6-8-20(15,19)23-16(18)22/h5,13,15H,1,6-12H2,2-4H3/t13-,15-,17+,18-,19+,20+/m0/s1
- Oral Bioavailability
- 79.838
- Drug Likeness
- 0.541
- 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
