DICL_CP_0308011 - DICL Database

Basic Molecular Information

Basic Information

DICL ID

DICL_CP_0308011

PubChem CID

10364

Molecular Formula

C₁₀H₁₄O

Molecular Weight

150.221 g/mol

Synonyms/Alias

[CARVACROL; 5-Isopropyl-2-methylphenol; 499-75-2; Isopropyl-o-cresol; Antioxine; 2-p-Cymenol; 5-Isopropyl-o-cresol; o-Thymol; Isothymol; Karvakrol; 2-Hydroxy-p-cymene; p-Cymen-2-ol; Phenol; 2-methyl-5...[CARVACROL; 5-Isopropyl-2-methylphenol; 499-75-2; Isopropyl-o-cresol; Antioxine; 2-p-Cymenol; 5-Isopropyl-o-cresol; o-Thymol; Isothymol; Karvakrol; 2-Hydroxy-p-cymene; p-Cymen-2-ol; Phenol; 2-methyl-5-(1-methylethyl)-; 2-Methyl-5-isopropylphenol; 3-Isopropyl-6-methylphenol; p-Cymene; 2-hydroxy-; 5-Isopropyl-2-methyl-phenol; o-Cresol; 5-isopropyl-; 2-Methyl-5-(1-methylethyl)phenol; 2-Methyl-5-(Propan-2-Yl)Phenol; 2-methyl-5-propan-2-ylphenol; 6-Methyl-3-isopropylphenol; 1-Hydroxy-2-methyl-5-isopropylbenzene; FEMA No. 2245; Phenol; 5-isopropyl-2-methyl-; Cymene-2-ol; p-; Caswell No. 511; Phenol; 3-isopropyl-6-methyl-; 1-Methyl-2-hydroxy-4-isopropylbenzene; DENTOL; NSC 6188; CCRIS 7450; HSDB 906; Oxycymol; NSC-6188; EINECS 207-889-6; EPA Pesticide Chemical Code 022104; UNII-9B1J4V995Q; BRN 1860514; CHEBI:3440; AI3-03438; 9B1J4V995Q; CHEMBL281202; DTXSID6042074; 2-methyl-5-propan-2-yl-phenol; 4-06-00-03331 (Beilstein Handbook Reference); 2-Methyl-5-(1-methylethyl)-Phenol; MFCD00002236; Cymenol; 2-Hydroxycymene; CYMOPHENOL; Hydroxy-p-cymene; Carvacrol;(S); p-Cymene-2-ol; Carvacrol; 98%; CARVACROL [FCC]; CARVACROL [MI]; CARVACROL [FHFI]; CARVACROL [HSDB]; CARVACROL [WHO-DD]; SCHEMBL24734; 3-Isopropyl-6-methyl phenol; 3-Isopropyl-6-methyl-Phenol; BIDD:ER0492; Carvacrol; analytical standard; O-CRESOL; 5-ISOPROPYL; GTPL2497; Carvacrol; natural; 99%; FG; DTXCID4022074; Methyl-5-(1-methylethyl)phenol; p-Mentha-1;3;5-trien-2-ol; WLN: QR B1 EY1&1; FEMA 2245; NSC6188; Carvacrol; >=98%; FCC; FG; HY-N0711; Tox21_301378; BDBM50240433; s3788; STL453136; AKOS000120828; AC-2688; CCG-266210; FS-4199; LMPR0102090017; MB00118; NCGC00256001-01; 1ST40100; CAS-499-75-2; Isothymol (=2-Isopropyl-4-methyl phenol); Carvacrol Cymenol 5-Isopropyl-2-methylphenol; CS-0009729; NS00004666; 2-HYDROXY-4-ISOPROPYL-1-METHYLBENZENE; EN300-21426; C09840; F17722; A827907; Q225543; Carvacrol; primary pharmaceutical reference standard; W-105999; BENZENE;2-HYDROXY;4-ISOPROPYL;1-METHYL CARVACROL; F8889-1978; Z104496566; BENZENE;2-HYDROXY;4-ISOPROPYL;1-METHYL CARVACROL; InChI=1/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7;11H;1-3H; S5V]

InChI Key

RECUKUPTGUEGMW-UHFFFAOYSA-N

InChI

InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3

IUPAC Name

2-methyl-5-propan-2-ylphenol

CAS Number

1431881-08-1

Structure Information

Chemical Structure Visualization

SMILES Notation

2D Molecular Drawing

Carbon (C)

Hydrogen (H)

Oxygen (O)

Nitrogen (N)

Sulfur (S)

SDF

11 11 0 0 0 0 0 0 0 0999 V2000
-3.4740 -0.7463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9898 -0.5295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4355 0...

Download SDF File (1018 bytes)

Experimental Data

Activity Data

Target Ion Channel

Transient receptor potential cation channel subfamily M member 7

Uniprot Accession Number

Q96QT4

Function

Inhibitor

Species

Homo sapiens (Human)

IC₅₀

IC₅₀: 306000 nM

EC₅₀

N/A (Not available)

K_i

N/A (Not available)

K_d

N/A (Not available)

Inhibition

N/A (Not available)

Experimental Conditions

pH 7.4

Holding Potential

100 mV mV

Temperature

22 °C

Test Method

Patch-clamping

Test Species

HEK293 cell (Homo sapiens embryonic kidney 293 cell)

Binding Information

Binding Site

Not specified

Binding Site Residue

Not specified

Disease Information

Related Disease

Not specified

References

DOI

10.1111/j.1476-5381.2012.01855.x

URL

N/A (Not available)

PMID

22242975

Patent

N/A (Not available)

Computed Properties

Heavy Atom Count

Rotatable Bonds

logP

2.824

Complexity

46.9328

TPSA (Å²)

20.23

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