01
Ingredients
(2s,3s)-3-hydroxy-6-(2-hydroxyethyl)-2,5,7-trimethyl-1-indanone
C14H18O3
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 9
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- (2s,3s)-3-hydroxy-6-(2-hydroxyethyl)-2,5,7-trimethyl-1-indanone
- Molecular Formula
- C14H18O3
- Molecular Weight
- No data
- Canonical SMILES
- CC1C(C2=C(C1=O)C(=C(C(=C2)C)CCO)C)O
- Isomeric SMILES
- C[C@H]1[C@@H](C2=C(C1=O)C(=C(C(=C2)C)CCO)C)O
- InChI
- InChI=1S/C14H18O3/c1-7-6-11-12(8(2)10(7)4-5-15)14(17)9(3)13(11)16/h6,9,13,15-16H,4-5H2,1-3H3/t9-,13-/m0/s1
- Oral Bioavailability
- 50.235
- Drug Likeness
- 0.819
- 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