01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 9
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- 142182-52-3
- Molecular Formula
- C21H26O4
- Molecular Weight
- No data
- Canonical SMILES
- CC1CCC2(C(C1=C)CC(=O)C3=C2C(=C(C(=C3O)C(=C)C)OC)O)C
- Isomeric SMILES
- C[C@H]1CC[C@]2([C@H](C1=C)CC(=O)C3=C2C(=C(C(=C3O)C(=C)C)OC)O)C
- InChI
- InChI=1S/C21H26O4/c1-10(2)15-18(23)16-14(22)9-13-12(4)11(3)7-8-21(13,5)17(16)19(24)20(15)25-6/h11,13,23-24H,1,4,7-9H2,2-3,5-6H3/t11-,13-,21-/m0/s1
- Oral Bioavailability
- 19.342
- Drug Likeness
- 0.609
- 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 ingredient1 Herbs