01
Ingredients
(2r)-3-[3-(5-allyl-2-hydroxyphenyl)-4-hydroxyphenyl]propane-1,2-diol
C18H20O4
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 10
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- (2r)-3-[3-(5-allyl-2-hydroxyphenyl)-4-hydroxyphenyl]propane-1,2-diol
- Molecular Formula
- C18H20O4
- Molecular Weight
- No data
- Canonical SMILES
- C=CCC1=CC(=C(C=C1)O)C2=C(C=CC(=C2)CC(CO)O)O
- Isomeric SMILES
- C=CCC1=CC(=C(C=C1)O)C2=C(C=CC(=C2)C[C@H](CO)O)O
- InChI
- InChI=1S/C18H20O4/c1-2-3-12-4-6-17(21)15(9-12)16-10-13(5-7-18(16)22)8-14(20)11-19/h2,4-7,9-10,14,19-22H,1,3,8,11H2/t14-/m1/s1
- Oral Bioavailability
- 32.214
- Drug Likeness
- 0.618
- 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.
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herb ingredient2 Herbs