01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 7
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- 3'-deoxy-4-o-methylsappanol
- Molecular Formula
- C17H18O5
- Molecular Weight
- No data
- Canonical SMILES
- COC1C2=C(C=C(C=C2)O)OCC1(CC3=CC=C(C=C3)O)O
- Isomeric SMILES
- CO[C@H]1C2=C(C=C(C=C2)O)OC[C@@]1(CC3=CC=C(C=C3)O)O
- InChI
- InChI=1S/C17H18O5/c1-21-16-14-7-6-13(19)8-15(14)22-10-17(16,20)9-11-2-4-12(18)5-3-11/h2-8,16,18-20H,9-10H2,1H3/t16-,17+/m0/s1
- Oral Bioavailability
- No data
- Drug Likeness
- 0.809
- 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.
Source Herbs
herb ingredient1 Herbs