01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 3
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Tuberostemoninol
- Molecular Formula
- C22H31NO6
- Molecular Weight
- No data
- Canonical SMILES
- CCC1C2C(C(C(=O)O2)C)C3(C14CCCCN(C4=O)C(C3)C5CC(C(=O)O5)C)O
- Isomeric SMILES
- CC[C@H]1C2C([C@H](C(=O)O2)C)[C@@]3([C@@]14CCCCN(C4=O)[C@@H](C3)[C@@H]5C[C@@H](C(=O)O5)C)O
- InChI
- InChI=1S/C22H31NO6/c1-4-13-17-16(12(3)19(25)29-17)22(27)10-14(15-9-11(2)18(24)28-15)23-8-6-5-7-21(13,22)20(23)26/h11-17,27H,4-10H2,1-3H3/t11-,12+,13-,14-,15-,16?,17?,21-,22-/m0/s1
- Oral Bioavailability
- 17.133
- Drug Likeness
- 0.703
- 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 target2 Targets
