DICL_CP_0308908 - DICL Database

Basic Molecular Information

Basic Information

DICL ID

DICL_CP_0308908

PubChem CID

3314

Molecular Formula

C₁₀H₁₂O₂

Molecular Weight

164.204 g/mol

Synonyms/Alias

[eugenol; 97-53-0; 4-Allyl-2-methoxyphenol; 4-Allylguaiacol; Eugenic acid; Allylguaiacol; p-Eugenol; Caryophyllic acid; p-Allylguaiacol; 2-Methoxy-4-prop-2-enylphenol; 2-Methoxy-4-allylphenol; Phenol;...[eugenol; 97-53-0; 4-Allyl-2-methoxyphenol; 4-Allylguaiacol; Eugenic acid; Allylguaiacol; p-Eugenol; Caryophyllic acid; p-Allylguaiacol; 2-Methoxy-4-prop-2-enylphenol; 2-Methoxy-4-allylphenol; Phenol; 2-methoxy-4-(2-propenyl)-; Engenol; 1;3;4-Eugenol; 2-Methoxy-4-(2-propenyl)phenol; 5-Allylguaiacol; Synthetic eugenol; 1-Hydroxy-2-methoxy-4-allylbenzene; 4-Allylcatechol-2-methyl ether; 2-Methoxy-1-hydroxy-4-allylbenzene; 4-Allyl-1-hydroxy-2-methoxybenzene; bioxeda; 1-Hydroxy-2-methoxy-4-prop-2-enylbenzene; 2-methoxy-4-(prop-2-en-1-yl)phenol; 2-Hydroxy-5-allylanisole; FEMA No. 2467; 4-Hydroxy-3-methoxy-1-allylbenzene; 4-Hydroxy-3-methoxyallylbenzene; 2-Methoxy-4-(2-propen-1-yl)phenol; Eugenol (natural); Phenol; 4-allyl-2-methoxy-; 4-Allylcatechol 2-methyl ether; NCI-C50453; 1-allyl-4-hydroxy-3-methoxybenzene; 1-Allyl-3-methoxy-4-hydroxybenzene; Caswell No. 456BC; FEMA Number 2467; 2-Metoksy-4-allilofenol; CCRIS 306; FA 100; CHEBI:4917; HSDB 210; NSC 209525; Caryophillic acid; NSC-8895; EINECS 202-589-1; Eugenol (USP); Eugenol [USP]; EPA Pesticide Chemical Code 102701; NSC-209525; UNII-3T8H1794QW; BRN 1366759; DTXSID9020617; Phenol; 2-methoxy-4-(2-propen-1-yl)-; AI3-00086; 3T8H1794QW; MFCD00008654; naturel; CHEMBL42710; DTXCID90617; 2-Methoxy-4-(3-propenyl)phenol; 2-methoxy-4-prop-2-enyl-phenol; EC 202-589-1; 3-(3-methoxy-4-hydroxyphenyl)propene; NCGC00091449-05; EUGENOL (IARC); EUGENOL [IARC]; EUGENOL (II); EUGENOL [II]; EUGENOL (MART.); EUGENOL [MART.]; EUGENOL (USP-RS); EUGENOL [USP-RS]; Eugenol [USAN]; WLN: 1U2R DQ CO1; EUGENOL (EP MONOGRAPH); EUGENOL [EP MONOGRAPH]; EUGENOL (USP MONOGRAPH); EUGENOL [USP MONOGRAPH]; CAS-97-53-0; 2-Metoksy-4-allilofenol [Polish]; SR-05000002043; allylguaicol; natural; naturale; oogenol; phenylpropanoid; redistillation; Eugenolum; fractionation;; animal feed; water white; Dentek Eugenol; alim ue; fami qs; Teething Gel; ugenol;; eugenic acid;; clove;; Isolate;; US Pharmacopoeia; Eugenol BP; flash distillation; clove oil fraction; Nuby Teething Gel; 12-(2-Cyanoethyl)-6;7;12;13-tetrahydro-13-methyl-5-oxo-5H-indolo[2;3-a]pyrrolo[3;4-c]carbazole; Goe 6976; 5;6;7;13-Tetrahydro-13-methyl-5-oxo-12H-indolo[2;3-a]pyrrolo[3;4-c]carbazole-12-propanenitrile;; Eugenol;(S); 1-hydroxy-4-allyl-2-methoxybenzene; Red Cross Toothache; British Pharmacopoeia; clove oil terpeneless; eugenol for synthesis; Eugenol1518; 4-allyl-2methoxyphenol; 3s0e; EFEUF;; EUGENOL [VANDF]; EUGENOL [FHFI]; EUGENOL [HSDB]; Marshall Toothache Drops; 4-allyl 2-methoxyphenol; EUGENOL [FCC]; EUGENOL [MI]; Spectrum2_001264; Spectrum3_000646; Spectrum4_001783; Spectrum5_000425; EUGENOL [WHO-DD]; 4-allyl-2-methoxy-Phenol; bmse010053; Epitope ID:114091; Eugenol; puriss.; 98%; AnaDent Childrens Kanka Gel; Eugenol Toothache Medication; SCHEMBL20361; BSPBio_002251; KBioGR_002327; MLS000028901; SEUGE0001; BIDD:ER0696; DivK1c_000692; SPECTRUM1500296; SPBio_001228; GTPL2425; HMS502C14; KBio1_000692; KBio3_001471; Eugenol; ReagentPlus(R); 99%; NSC8895; 4-(2-Propenyl)-2-methoxyphenol; Eugenol; natural; >=98%; FG; NINDS_000692; Eugenol; >=98%; FCC; FG; HMS1920O08; HMS2091F09; Pharmakon1600-01500296; 2-methoxy-4-(2-propenyl)-phenol; HY-N0337; Tox21_111134; Tox21_202040; Tox21_300105; BBL027721; BDBM50164168; CCG-38827; NSC209525; NSC757030; s4706; STL371304; Eugenol; tested according to Ph.Eur.; AKOS000121354; Tox21_111134_1; CS-7807; DB09086; FS-2702; NSC-757030; SDCCGMLS-0066578.P001; IDI1_000692; USEPA/OPP Pesticide Code: 102701; Eugenol 1000 microg/mL in Acetonitrile; NCGC00091449-01; NCGC00091449-02; NCGC00091449-03; NCGC00091449-04; NCGC00091449-06; NCGC00091449-07; NCGC00091449-08; NCGC00091449-10; NCGC00253915-01; NCGC00259589-01; AC-34149; Eugenol; Vetec(TM) reagent grade; 98%; SMR000059114; 2-METHOXY-4-(2-PROPENYL)PHENOL; SBI-0051381.P003; DB-261256; Eugenol; PESTANAL(R); analytical standard; A0232; NS00003629; EN300-16622; D04117; AB00051992_02; A845719; Eugenol; primary pharmaceutical reference standard; Q423357; Eugenol; certified reference material; TraceCERT(R); Q-201105; SR-05000002043-1; SR-05000002043-2; BRD-K32977963-001-01-9; BRD-K32977963-001-03-5; Z56347226; EUGENOL (CONSTITUENT OF HOLY BASIL LEAF) [DSC]; Eugenol; European Pharmacopoeia (EP) Reference Standard; F0001-2306; 2-methoxy-4-(prop-2-en-1-yl)phenol4-allyl-2-methoxyphenol; EUGENOL (CONSTITUENT OF CINNAMOMUM CASSIA BARK) [DSC]; EUGENOL (CONSTITUENT OF CINNAMOMUM VERUM BARK) [DSC]; Eugenol; United States Pharmacopeia (USP) Reference Standard; Eugenol; Pharmaceutical Secondary Standard; Certified Reference Material; InChI=1/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3;5-7;11H;1;4H2;2H]

InChI Key

RRAFCDWBNXTKKO-UHFFFAOYSA-N

InChI

InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3

IUPAC Name

2-methoxy-4-prop-2-enylphenol

CAS Number

N/A (Not available)

Structure Information

Chemical Structure Visualization

SMILES Notation

2D Molecular Drawing

Carbon (C)

Hydrogen (H)

Oxygen (O)

Nitrogen (N)

Sulfur (S)

SDF

24 24 0 0 0 0 0 0 0 0999 V2000
-2.4966 0.1867 2.0391 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5972 -0.1678 0.6637 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5002 -0.401...

Download SDF File (2069 bytes)

Experimental Data

Activity Data

Target Ion Channel

Transient receptor potential cation channel subfamily V member 3

Uniprot Accession Number

Q8NET8

Function

Agonist

Species

Homo sapiens (Human)

IC₅₀

N/A (Not available)

EC₅₀

EC₅₀: 2300000 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

2.1293

Complexity

48.5598

TPSA (Å²)

29.46

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