01
abdomen
No data
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.
Related Tissues
ingredient tissue8 Tissues
02
adipose tissue
No data
03
amniotic fluid
No data
04
aorta
No data
05
aorta wall
No data
06
artery
No data
07
articular capsule
No data
08
articular cartilage
No data