Herb Integrative Database

Traditional Medicine Data Platform

Ingredients

(6r)-2-methyl-6-(4-methylphenyl)hept-2-en-4-one

C15H20O

View Knowledge Graph Back to List

Entity Type: Ingredients
Relation Groups: 2
Relation Preview: 12

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name: (6r)-2-methyl-6-(4-methylphenyl)hept-2-en-4-one
Molecular Formula: C15H20O
Molecular Weight: No data
Canonical SMILES: CC1=CC=C(C=C1)C(C)CC(=O)C=C(C)C
Isomeric SMILES: CC1=CC=C(C=C1)[C@H](C)CC(=O)C=C(C)C
InChI: InChI=1S/C15H20O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5-9,13H,10H2,1-4H3/t13-/m1/s1
Oral Bioavailability: 40.842
Drug Likeness: 0.695
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 1D

adrenoceptor alpha 1D

04

adrenoceptor alpha 2A

adrenoceptor alpha 2A

05

adrenoceptor beta 1

adrenoceptor beta 1

06

adrenoceptor beta 2

adrenoceptor beta 2

07

cholinergic receptor muscarinic 1

cholinergic receptor muscarinic 1

08

cholinergic receptor muscarinic 2

cholinergic receptor muscarinic 2