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Herb Integrative Database
Traditional Medicine Data Platform
Ingredients

2,2-dimethylchroman-6-carboxylic acid

C12H14O3

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Entity Type
Ingredients
Relation Groups
2
Relation Preview
9

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
2,2-dimethylchroman-6-carboxylic acid
Molecular Formula
C12H14O3
Molecular Weight
No data
Canonical SMILES
CC1(CCC2=C(O1)C=CC(=C2)C(=O)O)C
Isomeric SMILES
CC1(CCC2=C(O1)C=CC(=C2)C(=O)O)C
InChI
InChI=1S/C12H14O3/c1-12(2)6-5-8-7-9(11(13)14)3-4-10(8)15-12/h3-4,7H,5-6H2,1-2H3,(H,13,14)
Oral Bioavailability
52.478
Drug Likeness
0.767
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 HerbsActive Targets

Active Targets

ingredient target8 Targets
GraphMore Targets
05
PTGS1
prostaglandin-endoperoxide synthase 1
prostaglandin-endoperoxide synthase 1
DetailsGraph
06
PTGS2
prostaglandin-endoperoxide synthase 2
prostaglandin-endoperoxide synthase 2
DetailsGraph