DICL_CP_0308013 - DICL Database

Basic Molecular Information

Basic Information

DICL ID

DICL_CP_0308013

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

25 25 0 0 0 0 0 0 0 0999 V2000
3.7160 0.4891 -0.2551 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2336 0.2759 -0.1346 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7241 -0.652...

Download SDF File (2152 bytes)

Experimental Data

Activity Data

Target Ion Channel

Transient receptor potential cation channel subfamily V member 3-like

Uniprot Accession Number

Q8NET8

Function

Agonist

Species

Homo sapiens (Human)

IC₅₀

N/A (Not available)

EC₅₀

EC₅₀: 34000 nM

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 to 100 mV mV

Temperature

37 °C

Test Method

Patch-clamping

Test Species

Not specified

Binding Information

Binding Site

Not specified

Binding Site Residue

Not specified

Disease Information

Related Disease

Not specified

References

DOI

10.1124/mol.109.060715

URL

N/A (Not available)

PMID

20086034

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