01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 11
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Isosativan
- Molecular Formula
- C17H18O4
- Molecular Weight
- No data
- Canonical SMILES
- COC1=CC(=C(C=C1)C2CC3=C(C=C(C=C3)OC)OC2)O
- Isomeric SMILES
- COC1=CC(=C(C=C1)[C@H]2CC3=C(C=C(C=C3)OC)OC2)O
- InChI
- InChI=1S/C17H18O4/c1-19-13-5-6-15(16(18)8-13)12-7-11-3-4-14(20-2)9-17(11)21-10-12/h3-6,8-9,12,18H,7,10H2,1-2H3/t12-/m0/s1
- Oral Bioavailability
- 8.239
- Drug Likeness
- 0.941
- 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.