01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 9
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- obacunoic acid
- Molecular Formula
- C33H44O11
- Molecular Weight
- 617
- Canonical SMILES
- [C@]12([C@]([H])(OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(O[H])=O)O[H])[C@@]([H])(C(C([H])([H])[H])(C([H])([H])[H])OC1([H])[H])C([H])([H])C(=O)[C@]3(C([H])( [H])[H])[C@@]2([H])C([H])([H])C([H])([H])[C@@]4(C([H])([H])[H])[C@@]35[C@@]([H])(O5)C(=O)O[C@@]4([H])c6c([H])c([H])oc6[H]
- Isomeric SMILES
- No data
- InChI
- No data
- Oral Bioavailability
- No data
- Drug Likeness
- No data
- 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