01
brain
No data
- Entity Type
- Ingredients
- Relation Groups
- 4
- Relation Preview
- 29
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- (+)-marmesin
- Molecular Formula
- C14H14O4
- Molecular Weight
- No data
- Canonical SMILES
- CC(C)(C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)O
- Isomeric SMILES
- CC(C)([C@@H]1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)O
- InChI
- InChI=1S/C14H14O4/c1-14(2,16)12-6-9-5-8-3-4-13(15)18-10(8)7-11(9)17-12/h3-5,7,12,16H,6H2,1-2H3/t12-/m0/s1
- Oral Bioavailability
- No data
- Drug Likeness
- 0.780
- 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.