UCSF

ZINC00391122

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 12 Yes

Popular Name: ISOEUGENOL ISOEUGENOL

Find On: PubMed — Wikipedia — Google

CAS Numbers: 97-54-1 , [97-54-1]

Other Names:

(E)-2-methoxy-4- (1-propenyl)-Phenol;(E)-2-methoxy-4-(1-propenyl)-Phenol;(E)-2-Methoxy-4-(prop-1-enyl)phenol;(E)-2-methoxy-4-propenyl-Phenol;(e)-isoeugenol;1-(3-Methoxy-4-hydroxyphenyl)-1-propane;1-Hydroxy-2-methoxy-4-propen-1-ylbenzene;2-Methoxy-4-(1-pro

(E)-2-methoxy-4-(prop-1-enyl)phenol; (E)-Isoeugenol; 2-methoxy-4-(1-propenyl)phenol; 2-Methoxy-4-[(1E)-1-propenyl]phenol; 4-(1-Propenyl)-2-methoxyphenol (trans-isoeugenol); 4-Vinylguaiacol; iso-Eugenol 2; Isoeugenol (E); Isoeugenol (I); Isoeugenol (II); I

(E)-2-Methoxy-4-(prop-1-enyl)phenol; (E)-Isoeugenol; BRN 2046156; EINECS 227-678-2; Isoeugenol trans-form; LS-104801; NSC 209522; Phenol, 2-methoxy-4-(1-propenyl)-, (E)-; Phenol, 2-methoxy-4-propenyl-, (E)-; trans-2-Methoxy-4-propenylphenol; trans-Isoeuge

1-(3-Methoxy-4-hydroxyphenyl)-1-propane; 1-Hydroxy-2-methoxy-4-propen-1-ylbenzene; 1-Hydroxy-2-methoxy-4-propenylbenzene; 2-Methoxy-4-(1-propenyl)phenol; 2-Methoxy-4-propenylphenol; 3-Methoxy-4-hydroxy-1-propen-1-ylbenzene; 4-Hydroxy-3-methoxy-1-propen-1-

1-(3-methoxy-4-hydroxyphenyl)-1-propene; Isoeugenol; bmse010052

1-Hydroxy-2-methoxy-4-propen-1-ylbenzene; 1-Hydroxy-2-methoxy-4-propenylbenzene; 2-Methoxy-4-propenylphenol; 3-Methoxy-4-hydroxypropenylbenzene; 4-Hydroxy-3-methoxypropenylbenzene; 4-Propenylguaiacol; Propenylguaiacol; isoeugenol

2-methoxy-4-(1-methylethenyl)phenol

2-Methoxy-4-(prop-1-en-1-yl)phenol

2-Methoxy-4-propenylphenol

2-methoxy-4-[(1E)-prop-1-en-1-yl]phenol

4-isopropenyl-2-methoxy-phenol

97-54-1; C10469; Isoeugenol

CHEBI:14466; CHEBI:6007

E-4-Propenyl-2-methoxyphenol

Isoeugenol (cis- and trans- mixture)

Isoeugenol (I); Isoeugenol E; Isoeugenol Z; Isoeugenol trans-form; iso-Eugenol 2; trans-2-Methoxy-4-propenylphenol; trans-2-methoxy-4-(1-propenyl)phenol; trans-isoeugenol; trans-p-Propenylquaiacol

Isoeugenol, 99%, mixture of cis/trans isomers

Isoeugenol, cis + trans

Isoeugenol, cis + trans, 98+%

Isoeugenol, mixture of cis and trans

MFCD00009285

trans-isoeugenol

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.38 3.61 -5.57 1 2 0 29 164.204 2 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 10 Acros Organics
Melting_Point 10? Alfa-Aesar
Melting_Point 10° Alfa-Aesar
BP [°C] 266 - 268 Acros Organics
Boiling_Point 266-268? Alfa-Aesar
Boiling_Point 266-268° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
UniProt Database Links AIMT1_PIMAN; COMT1_CLABR; CVMT1_OCIBA; EOMT1_OCIBA; IEMT_CLABR; IGS1_PETHY; OMT1_SORBI ChEBI
UniProt Database Links AIMT1_PIMAN; CVMT1_OCIBA; EOMT1_OCIBA; IEMT_CLABR; IGS1_PETHY; OMT1_SORBI ChEBI
Patent Database Links EP1666021; EP1705171; US2007183979; US2007183980; US2007190177; US2007207220; US2007298475 ChEBI
H phrase H315: Causes skin irritation Acros Organics
H phrase H315: Causes skin irritation; H302: Harmful if swallowed; H317: May cause an allergic skin reaction; H319: Causes serious eye irritation Acros Organics
Target Interleukin-4(P05112)&Transcription factor AP-1(P05412)&Metallothionein-2(P02795)&Beta-1,4-galactosyltransferase 4(O60513) Herbal Ingredients Targets
P phrase P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell Acros Organics
P phrase P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN E Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
R phrase R22: Harmful if swallowed.; R36/38: Irritating to eyes and skin.; R43: May cause sensitisation by skin contact. Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
Hazard XN: Harmful Acros Organics

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Analogs ( Draw Identity 99% 90% 80% 70% )