Herb Integrative Database

Traditional Medicine Data Platform

Ingredients

Stock1n-53032

C18H19NO3

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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: Stock1n-53032
Molecular Formula: C18H19NO3
Molecular Weight: No data
Canonical SMILES: COC1=C(C2=C3C(CC24C=CC(=O)C=C4)NCCC3=C1)OC
Isomeric SMILES: COC1=C(C2=C3[C@@H](CC24C=CC(=O)C=C4)NCCC3=C1)OC
InChI: InChI=1S/C18H19NO3/c1-21-14-9-11-5-8-19-13-10-18(6-3-12(20)4-7-18)16(15(11)13)17(14)22-2/h3-4,6-7,9,13,19H,5,8,10H2,1-2H3/t13-/m1/s1
Oral Bioavailability: 27.787
Drug Likeness: 0.909
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

Direct relations and traceable candidates grouped by relation type.

Source Herbs Active Targets

Active Targets

ingredient target8 Targets

Graph More Targets

01

acetylcholinesterase (Cartwright blood group)

acetylcholinesterase (Cartwright blood group)

02

adrenoceptor alpha 1A

adrenoceptor alpha 1A

03

adrenoceptor alpha 1B

adrenoceptor alpha 1B

04

adrenoceptor alpha 1D

adrenoceptor alpha 1D

05

adrenoceptor beta 2

adrenoceptor beta 2

06

androgen receptor

androgen receptor

07

cholinergic receptor muscarinic 1

cholinergic receptor muscarinic 1

08

cholinergic receptor muscarinic 2

cholinergic receptor muscarinic 2