01
单叶蔓荆
DAN YE MAN JING / Vitex rotundifolia [Syn. Vitex trifollia var. simplicifolia ]
DAN YE MAN JINGVitex rotundifolia [Syn. Vitex trifollia var. simplicifolia ]
Ingredients
acetic acid [(1R,3R,4R,4aS,8aS)-4-hydroxy-3,4a,8,8-tetramethyl-4-[2-(5-oxo-2H-furan-3-yl)ethyl]-1-decalinyl] ester
C22H34O5
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 10
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- acetic acid [(1R,3R,4R,4aS,8aS)-4-hydroxy-3,4a,8,8-tetramethyl-4-[2-(5-oxo-2H-furan-3-yl)ethyl]-1-decalinyl] ester
- Molecular Formula
- C22H34O5
- Molecular Weight
- 378.500
- Canonical SMILES
- CC1CC(C2C(CCCC2(C1(CCC3=CC(=O)OC3)O)C)(C)C)OC(=O)C
- Isomeric SMILES
- No data
- InChI
- No data
- Oral Bioavailability
- No data
- Drug Likeness
- No data
- 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.