Isoelemicin

  • Identifiers

    CAS mumber
    487-12-7

    Molecular formula
    C12H16O3

    SMILES
    C/C=C/C1=CC(=C(C(=C1)OC)OC)OC

    Retention indicies (RI)

    • DB5: 1640.0

  • Properties

    XLogP3-AA
    2.5 Well soluble in DEP, BB, MMB

    Molecular weight
    208.25 g/mol

  • Synonyms

    • Isoelemicin
    • 5273-85-8
    • trans-Isoelemicin
    • (E)-Isoelemicin
    • 487-12-7
    • 5-Propenyl-1,2,3-trimethoxy
    • NSC 16705
    • 1,2,3-trimethoxy-5-[(E)-prop-1-enyl]benzene
    • 9260LA114I
    • ISOELEMICIN, TRANS-
    • ISOELEMICIN, (E)-
    • Benzene, 1,2,3-trimethoxy-5-(1-propenyl)-, (E)-
    • AI3-36724
    • CHEBI:80837
    • Benzene, 1,2,3-trimethoxy-5-(1-propenyl)-
    • DTXSID801017541
    • 1,2,3-trimethoxy-5-[(1E)-prop-1-en-1-yl]benzene
    • 1,2,3-TRIMETHOXY-5-((1E)-1-PROPENYL)BENZENE
    • BENZENE, 1,2,3-TRIMETHOXY-5-(1E)-1-PROPEN-1-YL-
    • 1,2,3-Trimethoxy-5-[(1E)-1-propenyl]benzene
    • 1,2,3-trimethoxy-5-((1E)-prop-1-en-1-yl)benzene
    • (e)-isoelemicine
    • trans-Isoelemicine
    • 1,2,3-trimethoxy-5-(1-propenyl)benzene
    • NSC-16705
    • Benzene, 1,2,3-trimethoxy-5-propenyl-, (E)-
    • SCHEMBL68067
    • CHEMBL121548
    • SCHEMBL8350155
    • UNII-9260LA114I
    • DTXCID10909313
    • 1,2,3-Trimethoxy-5-(1E)-1-propen-1-ylbenzene; (E)-Isoelemicin; 1,2,3-Trimethoxy-5-((E)-prop-1-enyl)benzene; 1,2,3-Trimethoxy-5-[(1E)-1-propenyl]benzene
    • NSC16705
    • AKOS032948345
    • FS-9419
    • 1,2,3-Trimethoxy-5-(1-propenyl)-Benzene
    • CS-0024363
    • NS00125110
    • C16975
    • 1,2,3-Trimethoxy-5-(1-propenyl)-(E)-Benzene
    • Benzene, 1,2,3-trimethoxy-5-(1-propen-1-yl)-
    • Q27149878
1 3

Botanical

Name CAS Botanical Proportion
Nutmeg 3 8008-45-5 Myristica fragrans Houtt., fam. Myristicaceae 0.1%
Tarragon (Cuba) 8016-88-4 Artemisia dracunculus L., fam. Asteraceae (Compositae) 2.6%
Parsley herb (Cuba) 8000-68-8 Petroselinum crispum (Miller) A.W. Hill (P. sativum Hoffm.), fam. Apiaceae 0.02%
Perilla frutescens (China) 2a herb 90082-61-4 Perilla frutescens (L.) Brit., fam. Lamiaceae (Labiatae) 0.52%
Cubeb (India) 8007-87-2 Piper cubeba L., fam. Piperaceae 0.39%
Tarragon (Poland) 1 8016-88-4 Artemisia dracunculus L. (Russian type), fam. Asteraceae (Compositae) 0.71%
Tarragon (Lithuania) 1a 8016-88-4 Artemisia dracunculus L. (French type), fam. Asteraceae (Compositae) 0.1%
Tarragon (Lithuania) 1b 8016-88-4 Artemisia dracunculus L. (Russian type), fam. Asteraceae (Compositae) 13.7%
Tarragon (Lithuania) 1c 8016-88-4 Artemisia dracunculus L. (Russian type), fam. Asteraceae (Compositae) 0.1%
Calamus (India) 2 root 8015-79-0 Acorus calamus L., fam. Araceae 1.69%