Thujone (unknown isomer)

  • Định danh

    Số CAS
    471-15-8

    Công thức phân tử
    C10H16O

    SMILES
    C[C@H]1[C@H]2C[C@]2(CC1=O)C(C)C

    Chỉ số lưu (RI)

    • DB5: 1100.0

  • Thuộc tính

    XLogP3-AA
    2.3 Tan tốt trong DEP, BB, MMB

    Khối lượng phân tử
    152.23 g/mol

  • Các tên gọi

    • beta-Thujone
    • (+)-Isothujone
    • (+)-Thujone
    • (+)-3-Thujone
    • 471-15-8
    • Isothujone
    • d-Isothujone
    • (+)-beta-Thujone
    • D-beta-Thujone
    • THUJONE
    • .beta.-Thujone
    • (1S,4S,5R)-(+)-3-thujanone
    • trans-thujone
    • cis-Thujone
    • 8ZI5R3T54Q
    • NSC 67392
    • 3-Thujanone, (1S,4S,5R)-(+)-
    • .BETA.-THUJONE [MI]
    • (1S,4S,5R)-1-isopropyl-4-methylbicyclo[3.1.0]hexan-3-one
    • CHEBI:50045
    • (1s,4s,5r)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one
    • NSC-67392
    • [1S-(1alpha,4beta,5alpha)]-4-methyl-1-(1-methylethyl)bicyclo[3.1.0]hexan-3-one
    • 3-isothujone
    • (1S,4S,5R)-4-methyl-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-one (1S,4S,5R)-thujan-3-one
    • BICYCLO(3.1.0)HEXAN-3-ONE, 4-METHYL-1-(1-METHYLETHYL)-, (1S,4S,5R)
    • (+)-thujan-3-one
    • DTXSID20859476
    • UNII-8ZI5R3T54Q
    • NSC67392
    • beta Thujone
    • AI3-11501
    • EINECS 214-405-7
    • rel-(1R,4R,5S)-1-isopropyl-4-methylbicyclo(3.1.0)hexan-3-one
    • rel-(1R,4R,5S)-1-isopropyl-4-methylbicyclo[3.1.0]hexan-3-one
    • rel-(1R,4R,5S)-4-methyl-1-(propan-2-yl)bicyclo(3.1.0)hexan-3-one
    • rel-(1R,4R,5S)-4-methyl-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-one
    • D-beta
    • NSC 407281
    • thujone (trans-)
    • (+)-cis-Thujone
    • (+)-b-Thujone
    • 3-Thujanone (8CI)
    • beta-thujone, 1S-(1alpha,4beta,5alpha)-isomer
    • SCHEMBL337540
    • beta-thujone, (1S-(1alpha,4alpha,5alpha))-isomer
    • (1S,4S,5R)-thujan-3-one
    • CHEMBL3277898
    • DTXSID7057575
    • CHEBI:50044
    • DTXCID90209404
    • USMNOWBWPHYOEA-XKSSXDPKSA-N
    • rel-(1R,4R,5S)-thujan-3-one
    • (1S,4S,5R)-4-methyl-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-one
    • (+)-Isothujone ((+)-beta-Thujone)
    • AKOS006240449
    • LMPR0102120039
    • Bicyclo(3.1.0)hexan-3-one, 4-methyl-1-(1-methylethyl)-, (1S-(1-alpha,4-beta,5-alpha))-
    • NS00076400
    • C20260
    • Q27121861
1 3

Thực vật

Tên CAS Thực vật Tỷ lệ
Cistus (Spain) 1 8016-26-0 Cistus ladaniferus L. var. maculatus Dun, fam. Cistaceae 0.1%
Mentha requienii 1 Mentha requienii Bentham, fam. Lamiaceae (Labiatae) 0.05%
Mentha requienii 2 Mentha requienii Bentham, fam. Lamiaceae (Labiatae) 0.05%
Pennyroyal 4 8013-99-8 Mentha pulegium L., fam. Lamiaceae (Labiatae) 0.05%
Rhanterium Rhanterium epapposum Oliv. 0.6%
Rosemary (Spain) 3 8000-25-7 Rosmarinus officinalis L., fam. Lamiaceae (Labiatae) 0.05%
Wormwood (Mugwort) (Spain) 1 8008-93-3 Artemisia absinthium L., fam. Asteraceae (Compositae) 63.3%
Sassafras 1 8006-80-2 Sassafras albidum (Nutt.) Nees, fam. Lauraceae 0.1%
Cascarilla 2 8007-06-5 Croton eluteria Bennett, fam. Euphorbiaceae 0.14%
Orris butter 8002-73-1 Iris florentina L., fam. Iridaceae 0.01%
Fennel, pepper (Turkey) Foeniculum vulgare Miller, ssp. piperitum, fam. Apiaceae (Umbelliferae) 0.01%
Sage, dalmatian (Italy) 2 8022-56-8 Salvia officinalis L., fam. Lamiaceae (Labiatae) 14.45%
Cinnamomum parthenoxylum (China) 1e Cinnamomum parthenoxylum (Jack) Nees, fam. Lauraceae 1.81%
Patchouli (China) 1 8014-09-3 Pogostemon cablin Benth., fam. Lamiaceae (Labiatae) 0.01%
Santolina chamaecyparisus 84961-58-0 Santolina chamaecyparisus L., fam. Asteraceae (Compositae) 0.15%
Tansy (Finland) 2a 8016-87-3 Tanacetum vulgare L. germacrene chemotype, fam. Asteraceae (Compositae) 7.3%
Tansy (Finland) 2b 8016-87-3 Tanacetum vulgare L. umbellulone chemotype, fam. Asteraceae (Compositae) 12.2%
Eucalyptus camaldulensis (Egypt) fruit Eucalyptus camaldulensis Dehn. var. brevirostris, fam. Myrtaceae 0.17%
Satureja parvifolia (Argentina) Satureja parvifolia (Phil.) Epl., fam. Lamiaceae (Labiatae) 0.1%