01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 2
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Acanthokoreoicacid a
- Molecular Formula
- C20H30O4
- Molecular Weight
- No data
- Canonical SMILES
- CC1(CCC2(C(C1)C(=O)CC3C2(CCCC3(C)C(=O)O)C)O)C=C
- Isomeric SMILES
- C[C@]1(CC[C@]2([C@@H](C1)C(=O)CC3[C@]2(CCC[C@@]3(C)C(=O)O)C)O)C=C
- InChI
- InChI=1S/C20H30O4/c1-5-17(2)9-10-20(24)13(12-17)14(21)11-15-18(3,16(22)23)7-6-8-19(15,20)4/h5,13,15,24H,1,6-12H2,2-4H3,(H,22,23)/t13-,15?,17+,18+,19+,20+/m0/s1
- Oral Bioavailability
- No data
- Drug Likeness
- 0.757
- 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
