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Herb Integrative Database
Traditional Medicine Data Platform
Ingredients

Secobarbital

C12H18N2O3

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Entity Type
Ingredients
Relation Groups
2
Relation Preview
10

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
Secobarbital
Molecular Formula
C12H18N2O3
Molecular Weight
No data
Canonical SMILES
CCCC(C)C1(C(=O)NC(=O)NC1=O)CC=C
Isomeric SMILES
CCCC(C)C1(C(=O)NC(=O)NC1=O)CC=C
InChI
InChI=1S/C12H18N2O3/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17)
Oral Bioavailability
No data
Drug Likeness
0.560
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
02
CHRNA4
cholinergic receptor nicotinic alpha 4 subunit
cholinergic receptor nicotinic alpha 4 subunit
DetailsGraph
03
CYP2C9
cytochrome P450 family 2 subfamily C member 9
cytochrome P450 family 2 subfamily C member 9
DetailsGraph
04
GABRA1
gamma-aminobutyric acid type A receptor subunit alpha1
gamma-aminobutyric acid type A receptor subunit alpha1
DetailsGraph
05
GABRA2
gamma-aminobutyric acid type A receptor subunit alpha2
gamma-aminobutyric acid type A receptor subunit alpha2
DetailsGraph
06
GABRA4
gamma-aminobutyric acid type A receptor subunit alpha4
gamma-aminobutyric acid type A receptor subunit alpha4
DetailsGraph
07
GABRA5
gamma-aminobutyric acid type A receptor subunit alpha5
gamma-aminobutyric acid type A receptor subunit alpha5
DetailsGraph
08
GABRA6
gamma-aminobutyric acid type A receptor subunit alpha6
gamma-aminobutyric acid type A receptor subunit alpha6
DetailsGraph