01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 2
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Stemoenonine
- Molecular Formula
- C22H27NO7
- Molecular Weight
- No data
- Canonical SMILES
- CCC1C2C(CCCN3C2(C(=O)C=C3C4CC(C(=O)O4)C)O)OC15C=C(C(=O)O5)C
- Isomeric SMILES
- CC[C@H]1[C@H]2[C@@H](CCCN3[C@]2(C(=O)C=C3[C@@H]4C[C@@H](C(=O)O4)C)O)O[C@]15C=C(C(=O)O5)C
- InChI
- InChI=1S/C22H27NO7/c1-4-13-18-15(29-21(13)10-12(3)20(26)30-21)6-5-7-23-14(9-17(24)22(18,23)27)16-8-11(2)19(25)28-16/h9-11,13,15-16,18,27H,4-8H2,1-3H3/t11-,13-,15+,16-,18-,21-,22+/m0/s1
- Oral Bioavailability
- 21.380
- Drug Likeness
- 0.674
- 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.
Active Targets
ingredient target1 Targets