01
Ingredients
(4r)-4-[(e,3r)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohex-2-en-1-one
C13H20O2
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 6
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- (4r)-4-[(e,3r)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohex-2-en-1-one
- Molecular Formula
- C13H20O2
- Molecular Weight
- No data
- Canonical SMILES
- CC1=CC(=O)CC(C1C=CC(C)O)(C)C
- Isomeric SMILES
- CC1=CC(=O)CC([C@H]1/C=C/[C@@H](C)O)(C)C
- InChI
- InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-7,10,12,14H,8H2,1-4H3/b6-5+/t10-,12+/m1/s1
- Oral Bioavailability
- 37.716
- Drug Likeness
- 0.708
- 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 ingredient4 Herbs
02
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矮地茶
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04