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Herb Integrative Database
Traditional Medicine Data Platform
Ingredients

2-aminobenzoate-3,7-dimethyl-1,6-octadien-3-ol

C17H23NO2

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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-aminobenzoate-3,7-dimethyl-1,6-octadien-3-ol
Molecular Formula
C17H23NO2
Molecular Weight
No data
Canonical SMILES
CC(=CCCC(C)(C=C)OC(=O)C1=CC=CC=C1N)C
Isomeric SMILES
CC(=CCC[C@](C)(C=C)OC(=O)C1=CC=CC=C1N)C
InChI
InChI=1S/C17H23NO2/c1-5-17(4,12-8-9-13(2)3)20-16(19)14-10-6-7-11-15(14)18/h5-7,9-11H,1,8,12,18H2,2-4H3/t17-/m0/s1
Oral Bioavailability
64.919
Drug Likeness
0.482
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 target7 Targets
GraphMore Targets
01
CHRM1
cholinergic receptor muscarinic 1
cholinergic receptor muscarinic 1
DetailsGraph
03
PTGS2
prostaglandin-endoperoxide synthase 2
prostaglandin-endoperoxide synthase 2
DetailsGraph
04
SCN5A
sodium voltage-gated channel alpha subunit 5
sodium voltage-gated channel alpha subunit 5
DetailsGraph