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Herb Integrative Database
Traditional Medicine Data Platform
Ingredients

1,1-dimethylbutylbenzene

C12H18

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Entity Type
Ingredients
Relation Groups
2
Relation Preview
11

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
1,1-dimethylbutylbenzene
Molecular Formula
C12H18
Molecular Weight
No data
Canonical SMILES
CCCC(C)(C)C1=CC=CC=C1
Isomeric SMILES
CCCC(C)(C)C1=CC=CC=C1
InChI
InChI=1S/C12H18/c1-4-10-12(2,3)11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3
Oral Bioavailability
46.469
Drug Likeness
0.634
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
04
CHRM1
cholinergic receptor muscarinic 1
cholinergic receptor muscarinic 1
DetailsGraph
06
GABRA1
gamma-aminobutyric acid type A receptor subunit alpha1
gamma-aminobutyric acid type A receptor subunit alpha1
DetailsGraph