01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 11
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Xuelianlacton e
- Molecular Formula
- C15H20O3
- Molecular Weight
- No data
- Canonical SMILES
- CC1C2C(CC(=C)C3CCC(=C)C3C2OC1=O)O
- Isomeric SMILES
- C[C@@H]1[C@@H]2[C@@H](CC(=C)[C@@H]3CCC(=C)[C@@H]3[C@H]2OC1=O)O
- InChI
- InChI=1S/C15H20O3/c1-7-4-5-10-8(2)6-11(16)13-9(3)15(17)18-14(13)12(7)10/h9-14,16H,1-2,4-6H2,3H3/t9-,10+,11-,12+,13-,14-/m1/s1
- Oral Bioavailability
- No data
- Drug Likeness
- 0.527
- 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