01
Ingredients
(3r,3ar,6s,7ar)-6-hydroxy-3,6-dimethyl-3a,4,7,7a-tetrahydro-3h-benzofuran-2,5-dione
C10H14O4
- Entity Type
- Ingredients
- Relation Groups
- 4
- Relation Preview
- 26
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- (3r,3ar,6s,7ar)-6-hydroxy-3,6-dimethyl-3a,4,7,7a-tetrahydro-3h-benzofuran-2,5-dione
- Molecular Formula
- C10H14O4
- Molecular Weight
- No data
- Canonical SMILES
- CC1C2CC(=O)C(CC2OC1=O)(C)O
- Isomeric SMILES
- C[C@@H]1[C@H]2CC(=O)[C@@](C[C@H]2OC1=O)(C)O
- InChI
- InChI=1S/C10H14O4/c1-5-6-3-8(11)10(2,13)4-7(6)14-9(5)12/h5-7,13H,3-4H2,1-2H3/t5-,6-,7-,10+/m1/s1
- Oral Bioavailability
- 104.942
- Drug Likeness
- 0.568
- 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.
Active Targets
ingredient target8 Targets
02
JUN
Jun proto-oncogene, AP-1 transcription factor subunit
Jun proto-oncogene, AP-1 transcription factor subunit
03
04
05
06
07
08