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Herb Integrative Database
Traditional Medicine Data Platform
Ingredients

2,2-dimethylpentane

C7H16

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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-dimethylpentane
Molecular Formula
C7H16
Molecular Weight
No data
Canonical SMILES
CCCC(C)(C)C
Isomeric SMILES
CCCC(C)(C)C
InChI
InChI=1S/C7H16/c1-5-6-7(2,3)4/h5-6H2,1-4H3
Oral Bioavailability
55.329
Drug Likeness
0.475
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
01
ACHE
acetylcholinesterase (Cartwright blood group)
acetylcholinesterase (Cartwright blood group)
DetailsGraph
04
GABRA1
gamma-aminobutyric acid type A receptor subunit alpha1
gamma-aminobutyric acid type A receptor subunit alpha1
DetailsGraph
08
PTGS1
prostaglandin-endoperoxide synthase 1
prostaglandin-endoperoxide synthase 1
DetailsGraph