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Herb Integrative Database
Traditional Medicine Data Platform
Ingredients

Butyl isobutyl phthalate

C16H22O4

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Entity Type
Ingredients
Relation Groups
2
Relation Preview
16

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
Butyl isobutyl phthalate
Molecular Formula
C16H22O4
Molecular Weight
No data
Canonical SMILES
CCCCOC(=O)C1=CC=CC=C1C(=O)OCC(C)C
Isomeric SMILES
CCCCOC(=O)C1=CC=CC=C1C(=O)OCC(C)C
InChI
InChI=1S/C16H22O4/c1-4-5-10-19-15(17)13-8-6-7-9-14(13)16(18)20-11-12(2)3/h6-9,12H,4-5,10-11H2,1-3H3
Oral Bioavailability
64.106
Drug Likeness
0.566
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
03
CHRM1
cholinergic receptor muscarinic 1
cholinergic receptor muscarinic 1
DetailsGraph
04
CHRM2
cholinergic receptor muscarinic 2
cholinergic receptor muscarinic 2
DetailsGraph
05
CHRM3
cholinergic receptor muscarinic 3
cholinergic receptor muscarinic 3
DetailsGraph