DICL_CP_0307561 - DICL Database

Basic Molecular Information

Basic Information

DICL ID

DICL_CP_0307561

PubChem CID

22311

Molecular Formula

C₁₀H₁₆

Molecular Weight

136.238 g/mol

Synonyms/Alias

[LIMONENE; Dipentene; 138-86-3; Cinene; Cajeputene; DL-Limonene; Kautschin; Dipenten; Eulimen; Nesol; p-Mentha-1;8-diene; 1;8-p-Menthadiene; Cajeputen; Limonen; Cinen; Inactive limonene; Acintene DP d...[LIMONENE; Dipentene; 138-86-3; Cinene; Cajeputene; DL-Limonene; Kautschin; Dipenten; Eulimen; Nesol; p-Mentha-1;8-diene; 1;8-p-Menthadiene; Cajeputen; Limonen; Cinen; Inactive limonene; Acintene DP dipentene; (+/-)-Limonene; 1-Methyl-4-(1-methylethenyl)cyclohexene; Cyclohexene; 1-methyl-4-(1-methylethenyl)-; Unitene; alpha-Limonene; Flavor orange; Orange flavor; Goldflush II; 4-Isopropenyl-1-methylcyclohexene; Acintene DP; 4-Isopropenyl-1-methyl-1-cyclohexene; Dipanol; Di-p-mentha-1;8-diene; 1;8(9)-p-Menthadiene; d;l-Limonene; Limonene; dl-; 7705-14-8; Dipentene 200; (+-)-Dipentene; DL-4-Isopropenyl-1-methylcyclohexene; (+-)-Line; Caswell No. 526; delta-1;8-Terpodiene; p-Mentha-1;8-diene; dl-; (+-)-alpha-Limonene; Dipentene; crude; MENTHA-1;8-DIENE (DL); NSC 21446; PC 560; 1-Methyl-4-isopropenyl-1-cyclohexene; Terpodiene; 1-methyl-4-(prop-1-en-2-yl)cyclohex-1-ene; Ciene; 1-methyl-4-prop-1-en-2-ylcyclohexene; Cyclil decene; HSDB 1809; Limonene; (+/-)-; NSC 844; Orange x; Dipentene; technical grade; p-Mentha-1;8-diene; (+-)-; .alpha.-Limonene; DIPENTENE (+-); EINECS 205-341-0; EINECS 231-732-0; 1-Methyl-p-isopropenyl-1-cyclohexene; EPA Pesticide Chemical Code 079701; Mentha-1;8-diene; DTXSID2029612; UNII-9MC3I34447; CHEBI:15384; AI3-00739; NSC-844; NSC-21446; (+-)-(RS)-limonene; DL-p-mentha-1;8-diene; Mentha-1;8-diene; DL; .delta.-1;8-Terpodiene; 8016-20-4; 9MC3I34447; Terpenes and Terpenoids; limonene fraction; Methyl-4-isopropenylcyclohexene; DTXCID209612; NSC844; 65996-98-7; (1)-1-Methyl-4-(1-methylvinyl)cyclohexene; 1-Methyl-4-isopropenylcyclohexene; Methyl-4-isopropenyl-1-cyclohexene; NSC21446; Methyl-4-(1-methylethenyl)cyclohexene; NCGC00163742-03; 4-(1-methylethenyl)-1-methyl-cyclohexene; (+/-)-1-METHYL-4-(1-METHYLETHENYL)CYCLOHEXENE; Cyclohexene; 1-methyl-4-(1-methylethenyl)-; (.+/-.)-; Limonene 1000 microg/mL in Isopropanol; CAS-138-86-3; 4-mentha-1;8-diene; TERPIN MONOHYDRATE IMPURITY C (EP IMPURITY); TERPIN MONOHYDRATE IMPURITY C [EP IMPURITY]; Cyclohexene; 1-methyl-4-(1-methylethenyl)-; (R)-; UN2052; Achilles dipentene; Dipentene; tech.; 4-isopropenyl-1-methyl-cyclohexene; Nesol/from Table/; c0626; p-Mentha-1; dl-; d(R)-4-Isopropenyl-1-methylcyclohexene; limonene; (+-)-; (.+-.)-Limonene; (.+-.)-Dipentene; p-Menthane/from Table/; 4 Mentha 1;8 diene; LIMONENE [HSDB]; LIMONENE [MI]; (.+/-.)-Dipentene; (.+/-.)-Limonene; DIPENTENE [VANDF]; DIPENTEN [WHO-DD]; Cyclohexene; (.+-.)-; Dipentene; p.a.; 95%; (+-)-LIMONENE; 1-METHYL-4-PROP-1-EN-2-YL-CYCLOHEXENE; p-Mentha-1;8(9)-diene; CHEMBL15799; (.+/-.)-.alpha.-Limonene; (+/-)-p-Mentha-1;8-diene; p-Mentha-1; (.+-.)-; HMS3264E05; Pharmakon1600-00307080; HY-N0544; LIMONENE; (+/-)-(II); Tox21_112068; Tox21_201818; Tox21_303409; MFCD00062992; NSC757069; STK801934; 1-methyl-4-isopropenylcyclohex-1-ene; LIMONENE; (+/-)- [II]; AKOS009031280; Cyclohexene; 4-Isopropenyl-1-methyl-; USEPA/OPP Pesticide Code 079701; WLN: L6UTJ A1 DY1 & U1; CCG-214016; FS-8076; p-Mentha-1;8-diene; (.+/-.)-; SB44847; UN 2052; NCGC00163742-01; NCGC00163742-02; NCGC00163742-04; NCGC00163742-05; NCGC00257291-01; NCGC00259367-01; turpentine oil terpenes limonene fraction; 8050-32-6; NCI60_041856; 1-methyl-4-(1-methylethenyl) cylcohexene; 1-methyl-4-(prop-1-en-2-yl)cyclohexene; Dipentene [UN2052] [Flammable liquid]; Cyclohexene; 1-methyl-4-(1-methylethynyl); DB-053490; DB-072716; CS-0009072; L0046; NS00067923; EN300-21627; C06078; D00194; E88572; AB01563249_01; Q278809; SR-01000872759; CYCLOHEXENE 1-METHYL-4-(1-METHYLETHENYL)-; J-007186; J-520048; SR-01000872759-1; 4B4F06FC-8293-455D-8FD5-C970CDB001EE; Dipentene; mixt. of limonene; 56-64%; and terpinolene; 20-25%; 1-Methyl-4-(1-methylethenyl)-or 1-methyl-4-isopropenyl-cyclohex-1-ene; 555-08-8; 65996-99-8; 8022-90-0]

InChI Key

XMGQYMWWDOXHJM-UHFFFAOYSA-N

InChI

InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3

IUPAC Name

1-methyl-4-prop-1-en-2-ylcyclohexene

CAS Number

138-86-3

Structure Information

Chemical Structure Visualization

SMILES Notation

2D Molecular Drawing

Carbon (C)

Hydrogen (H)

Oxygen (O)

Nitrogen (N)

Sulfur (S)

SDF

26 26 0 0 0 0 0 0 0 0999 V2000
3.2563 -1.5741 -0.6457 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9497 -0.8847 -0.3634 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5782 -0.684...

Download SDF File (2235 bytes)

Experimental Data

Activity Data

Target Ion Channel

Connexin 43

Uniprot Accession Number

P17302

Function

Inhibitor

Species

Homo sapiens (Human)

IC₅₀

pIC50: 4.52

EC₅₀

N/A (Not available)

K_i

N/A (Not available)

K_d

N/A (Not available)

Inhibition

N/A (Not available)

Experimental Conditions

Not mention

Holding Potential

−10 mV mV

Temperature

Not mention

Test Method

Patch-clamping

Test Species

HeLa cell

Binding Information

Binding Site

Transmembrane domain

Binding Site Residue

F84, F165, and F169 are highly common residues often found at the exact docking site of these compounds

Disease Information

Related Disease

treatment of cardiac arrhythmias and other dysfunctions

References

DOI

10.3390/biomedicines11071972

URL

N/A (Not available)

PMID

37509611

Patent

N/A (Not available)

Computed Properties

Heavy Atom Count

Rotatable Bonds

logP

3.3089

Complexity

45.912

TPSA (Å²)

H-Bond Donors

H-Bond Acceptors

Ring Count

New Search

Molecular Details

Basic Molecular Information

Basic Information

Structure Information

Chemical Structure Visualization

Experimental Data

Activity Data

Experimental Conditions

Binding Information

Disease Information

References

Computed Properties