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macelignan English (Q6723225)

Item Discussion
chemical compound
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Language Label Description Also known as
British English
No label defined
chemical compound

    Statements

    SMILES
    c3cc1OCOc1cc3CC(C)C(C)Cc(ccc2O)cc2OC
    1 reference
    imported from Wikimedia project
    English Wikipedia
    CC(CC1=CC2=C(C=C1)OCO2)C(C)CC3=CC(=C(C=C3)O)OC
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    10404245
    language of work or name
    English
    title
    Macelignan (English)
    retrieved
    9 October 2016
    chemical formula
    C₂₀H₂₄O₄
    2 references
    imported from Wikimedia project
    English Wikipedia
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    10404245
    language of work or name
    English
    title
    Macelignan (English)
    retrieved
    9 October 2016
    InChI
    InChI=1S/C20H24O4/c1-13(8-15-4-6-17(21)19(10-15)22-3)14(2)9-16-5-7-18-20(11-16)24-12-23-18/h4-7,10-11,13-14,21H,8-9,12H2,1-3H3/t13-,14+/m0/s1
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    10404245
    language of work or name
    English
    title
    Macelignan (English)
    retrieved
    9 October 2016
    CAS registry number
    107534-93-0
    2 references
    stated in
    Unique Ingredient Identifier English
    UNII English
    8PP3614Z43
    retrieved
    14 February 2018
    InChIKey
    QDDILOVMGWUNGD-UONOGXRCSA-N
    stated in
    Q18907859 (Deleted Item)
    retrieved
    9 April 2021
    reference URL
    https://commonchemistry.cas.org/detail?cas_rn=107534-93-0
    mass
    328.167 http://www.wikidata.org/entity/Q483261
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    10404245
    language of work or name
    English
    title
    Macelignan (English)
    retrieved
    9 October 2016
    PubChem CID
    10404245
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    10404245
    language of work or name
    English
    title
    Macelignan (English)
    retrieved
    9 October 2016
    ChemSpider ID
    8579683
    1 reference
    stated in
    ChemSpider
    ChemSpider ID
    8579683
    language of work or name
    English
    title
    Macelignan (English)
    retrieved
    9 October 2016
    ChEMBL ID
    CHEMBL254071
    1 reference
    stated in
    ChEMBL English
    ChEMBL ID
    CHEMBL254071
    language of work or name
    English
    title
    AUSTROBAILIGNAN 6 (English)
    retrieved
    9 October 2016
    UNII English
    8PP3614Z43
    1 reference
    stated in
    Unique Ingredient Identifier English
    UNII English
    8PP3614Z43
    retrieved
    14 February 2018
    ChEBI ID
    94153
    mapping relation type English
    exact match English
    2 references
    stated in
    Q902623 (Deleted Item)
    ChEBI ID
    94153
    language of work or name
    English
    title
    4-[(2S,3R)-4-(1,3-benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxyphenol (English)
    retrieved
    9 October 2016
    stated in
    Q105965742 (Deleted Item)
    InChIKey
    QDDILOVMGWUNGD-UONOGXRCSA-N
    2 references
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    10404245
    language of work or name
    English
    title
    Macelignan (English)
    retrieved
    9 October 2016
    stated in
    Unique Ingredient Identifier English
    UNII English
    8PP3614Z43
    retrieved
    14 February 2018
    DSSTox substance ID English
    DTXSID00148077
    1 reference
    stated in
    Q28061352 (Deleted Item)
    isomeric SMILES
    COC1=CC(C[C@H](C)[C@H](C)CC2=CC=C3OCOC3=C2)=CC=C1O
    1 reference
    stated in
    Unique Ingredient Identifier English
    UNII English
    8PP3614Z43
    retrieved
    14 February 2018
    RxNorm ID English
    1872381
    1 reference
    stated in
    Unique Ingredient Identifier English
    UNII English
    8PP3614Z43
    retrieved
    14 February 2018
    NCI Thesaurus ID English
    C92606
    1 reference
    stated in
    Unique Ingredient Identifier English
    UNII English
    8PP3614Z43
    retrieved
    14 February 2018
    Microsoft Academic ID
    2780355256
    0 references
    subclass of
    Q424634 (Deleted Item)
    0 references
    DSSTOX compound identifier English
    DTXCID6070568
    0 references
    CosIng number English
    86571
    0 references
    Freebase ID
    /m/0gjd0n9
    0 references
    DrugBank ID English
    14129
    1 reference
    stated in
    Q1122544 (Deleted Item)
    DrugBank ID English
    14129
    retrieved
    6 July 2021
    quotation
    CAS no.: 107534-93-0 (English)
    title
    Macelignan (English)
    found in taxon
    Myristica fragrans English
    6 references
    stated in
    Q46779617 (Deleted Item)
    stated in
    Q46955799 (Deleted Item)
    stated in
    Q34699957 (Deleted Item)
    stated in
    Q39986206 (Deleted Item)
    stated in
    Q104909540 (Deleted Item)
    stated in
    Q40053001 (Deleted Item)
    Q162365 (Deleted Item)
    1 reference
    stated in
    Q68462381 (Deleted Item)
    Q15493525 (Deleted Item)
    1 reference
    stated in
    Q43972387 (Deleted Item)
    Leucas aspera English
    1 reference
    stated in
    Q44433566 (Deleted Item)
    Q104398008 (Deleted Item)
    1 reference
    stated in
    Q104964905 (Deleted Item)
    Schisandra sphenanthera English
    2 references
    stated in
    Q34850918 (Deleted Item)
    stated in
    Q84029072 (Deleted Item)
    Q15598040 (Deleted Item)
    1 reference
    stated in
    Q40017654 (Deleted Item)
    P11199 (Deleted Property)
    PD012053 Property P11199 not found, cannot determine the data type to use.
    0 references
     
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