01
Ingredients
2-hydroxy-7-carboxy-1-methyl-5-ethenyl-9,10-dihydrophenanthrene
C18H16O3
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 10
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- 2-hydroxy-7-carboxy-1-methyl-5-ethenyl-9,10-dihydrophenanthrene
- Molecular Formula
- C18H16O3
- Molecular Weight
- No data
- Canonical SMILES
- CC1=C(C=CC2=C1CCC3=C2C(=CC(=C3)C(=O)O)C=C)O
- Isomeric SMILES
- CC1=C(C=CC2=C1CCC3=C2C(=CC(=C3)C(=O)O)C=C)O
- InChI
- InChI=1S/C18H16O3/c1-3-11-8-13(18(20)21)9-12-4-5-14-10(2)16(19)7-6-15(14)17(11)12/h3,6-9,19H,1,4-5H2,2H3,(H,20,21)
- Oral Bioavailability
- 24.830
- Drug Likeness
- 0.879
- 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 ingredient2 Herbs