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Herb Integrative Database
Traditional Medicine Data Platform
Ingredients

1,1-diethylpropylbenzene

C13H20

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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
1,1-diethylpropylbenzene
Molecular Formula
C13H20
Molecular Weight
No data
Canonical SMILES
CCC(CC)(CC)C1=CC=CC=C1
Isomeric SMILES
CCC(CC)(CC)C1=CC=CC=C1
InChI
InChI=1S/C13H20/c1-4-13(5-2,6-3)12-10-8-7-9-11-12/h7-11H,4-6H2,1-3H3
Oral Bioavailability
51.152
Drug Likeness
0.646
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
05
CHRM1
cholinergic receptor muscarinic 1
cholinergic receptor muscarinic 1
DetailsGraph
06
CHRNA2
cholinergic receptor nicotinic alpha 2 subunit
cholinergic receptor nicotinic alpha 2 subunit
DetailsGraph