Cyclohexenones

Description:

Compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond.

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  1. 1-Phenyl-1-cyclohexen-3-one
    CAS: 10345-87-6 EC Number: 233-755-1 Formula: C12H12O Molecular Weight: 172.22
    Solid ≥97%
    Out of Stock Item #: C1369312
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    Technical Identifiers
    IUPAC Name
    3-phenylcyclohex-2-en-1-one
    SMILES
    C1CC(=CC(=O)C1)C2=CC=CC=C2
    InChIKey
    DIELDZAPFMXAHA-UHFFFAOYSA-N
    InChI
    1S/C12H12O/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2
    Synonyms
    1-Phenylcyclohexen-3-one | 3-Phenyl-2-cyclohexen-1-one | 3-Phenyl-2-cyclohexene-1-one | 3-Phenyl-2-cyclohexenone | NS...
  2. Rubropunctatin
    CAS: 514-67-0 PubChem CID: 6452445
    Out of Stock Item #: R1002565
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    IUPAC Name
    (9aR)-3-hexanoyl-9a-methyl-6-[(E)-prop-1-enyl]furo[3,2-g]isochromene-2,9-dione
    SMILES
    CCCCCC(=O)C1=C2C=C3C=C(OC=C3C(=O)C2(OC1=O)C)C=CC
    InChIKey
    SULYDLFVUNXAMP-WKOQKXSESA-N
    InChI
    1S/C21H22O5/c1-4-6-7-9-17(22)18-16-11-13-10-14(8-5-2)25-12-15(13)19(23)21(16,3)26-20(18)24/h5,8,10-12H,4,6-7,9H2,1-3H3/b8-5+/t21-/m1/s1
  3. LP-184
    CAS: 924835-67-6 Formula: C16H20N2O4 Molecular Weight: 304.340
    Out of Stock Item #: L942166
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    IUPAC Name
    1-hydroxy-1-[[(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxospiro[cyclopropane-1,6'-indene]-1'-yl]methyl]urea
    SMILES
    CC1=C(C2=C(C3(CC3)[C@@](C(=O)C2=C1)(C)O)C)CN(C(=O)N)O
    InChIKey
    VWMPVAZEBAKLFR-HNNXBMFYSA-N
    InChI
    1S/C16H20N2O4/c1-8-6-10-12(11(8)7-18(22)14(17)20)9(2)16(4-5-16)15(3,21)13(10)19/h6,21-22H,4-5,7H2,1-3H3,(H2,17,20)/t15-/m0/s1
  4. Desoxo-Narchinol A
    CAS: 53859-06-6 PubChem CID: 56835056
    Out of Stock Item #: D931701
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    IUPAC Name
    (4R,4aS,5R)-4-hydroxy-4a,5-dimethyl-4,5,6,7-tetrahydronaphthalen-1-one
    SMILES
    CC1CCC=C2C1(C(C=CC2=O)O)C
    InChIKey
    YWSIMWUTQXMOSD-FXAINCCUSA-N
    InChI
    1S/C12H16O2/c1-8-4-3-5-9-10(13)6-7-11(14)12(8,9)2/h5-8,11,14H,3-4H2,1-2H3/t8-,11-,12+/m1/s1
  5. 3-Dehydroshikimic acid
    CAS: 2922-42-1 EC Number: 634-499-7 PubChem CID: 439774 Formula: C7H8O5 Molecular Weight: 172.14
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    Out of Stock Item #: D769204
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    IUPAC Name
    (4S,5R)-4,5-dihydroxy-3-oxocyclohexene-1-carboxylic acid
    SMILES
    C1C(C(C(=O)C=C1C(=O)O)O)O
    InChIKey
    SLWWJZMPHJJOPH-PHDIDXHHSA-N
    InChI
    1S/C7H8O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,5-6,9-10H,2H2,(H,11,12)/t5-,6-/m1/s1
  6. 2-Methoxycyclohex-2-enone
    CAS: 23740-37-6 PubChem CID: 12496237 Formula: C7H10O2 Molecular Weight: 126.15
    Out of Stock Item #: M726859
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    Technical Identifiers
    IUPAC Name
    2-methoxycyclohex-2-en-1-one
    SMILES
    COC1=CCCCC1=O
    InChIKey
    KPVZWLCTHWRRNK-UHFFFAOYSA-N
    InChI
    1S/C7H10O2/c1-9-7-5-3-2-4-6(7)8/h5H,2-4H2,1H3
  7. 2-Iodocyclohex-2-en-1-one
    CAS: 33948-36-6 PubChem CID: 11106935 Formula: C6H7IO Molecular Weight: 222.02
    Out of Stock Item #: I725562
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    Technical Identifiers
    IUPAC Name
    2-iodocyclohex-2-en-1-one
    SMILES
    C1CC=C(C(=O)C1)I
    InChIKey
    IPFSJCDRYRZTJU-UHFFFAOYSA-N
    InChI
    1S/C6H7IO/c7-5-3-1-2-4-6(5)8/h3H,1-2,4H2
  8. (S)-8a-Methyl-3,4,8,8a-tetrahydronaphthalene-1,6(2H,7H)-dione
    CAS: 33878-99-8 Formula: C11H14O2 Molecular Weight: 178.23
    Solid ≥95%
    Out of Stock Item #: A735521
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    Technical Identifiers
    IUPAC Name
    (8aS)-8a-methyl-3,4,7,8-tetrahydro-2H-naphthalene-1,6-dione
    SMILES
    CC12CCC(=O)C=C1CCCC2=O
    InChIKey
    DNHDRUMZDHWHKG-NSHDSACASA-N
    InChI
    1S/C11H14O2/c1-11-6-5-9(12)7-8(11)3-2-4-10(11)13/h7H,2-6H2,1H3/t11-/m0/s1
  9. Monascin
    CAS: 21516-68-7 Formula: C21H26O5 Molecular Weight: 358.43
    Solid ≥98%
    In Stock Item #: M726486
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    Technical Identifiers
    IUPAC Name
    (3S,3aR,9aR)-3-hexanoyl-9a-methyl-6-[(E)-prop-1-enyl]-3,3a,4,8-tetrahydrofuro[3,2-g]isochromene-2,9-dione
    SMILES
    CCCCCC(=O)C1C2CC3=C(COC(=C3)C=CC)C(=O)C2(OC1=O)C
    InChIKey
    XXKNHBAFFJINCK-RVEJDSBJSA-N
    InChI
    1S/C21H26O5/c1-4-6-7-9-17(22)18-16-11-13-10-14(8-5-2)25-12-15(13)19(23)21(16,3)26-20(18)24/h5,8,10,16,18H,4,6-7,9,11-12H2,1-3H3/b8-5+/t16-,18+,21-/m1/show more
    Synonyms
    Monascoflavin | (3S,3aR,9aR)-3-Hexanoyl-9a-methyl-6-((E)-propenyl)-3a,4,8,9a-tetrahydro-3H-furo[3,2-g]isochromene-2,9...
  10. Methyl 4-hydroxy-6-methyl-2-oxo-3-cyclohexene-1-carboxylate
    CAS: 39493-62-4 Formula: C9H12O4 Molecular Weight: 184.19
    Out of Stock Item #: M708875
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    Technical Identifiers
    IUPAC Name
    methyl 2-hydroxy-6-methyl-4-oxocyclohex-2-ene-1-carboxylate
    SMILES
    CC1CC(=O)C=C(C1C(=O)OC)O
    InChIKey
    SEBIQMPNDQLYOX-UHFFFAOYSA-N
    InChI
    1S/C9H12O4/c1-5-3-6(10)4-7(11)8(5)9(12)13-2/h4-5,8,11H,3H2,1-2H3
  11. 3-Chloro-5,5-dimethylcyclohex-2-enone
    CAS: 17530-69-7 PubChem CID: 140243 Formula: C8H11ClO Molecular Weight: 158.62
    Liquid ≥98%
    Out of Stock Item #: C695846
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    Technical Identifiers
    IUPAC Name
    3-chloro-5,5-dimethylcyclohex-2-en-1-one
    SMILES
    CC1(CC(=CC(=O)C1)Cl)C
    InChIKey
    PJYTYJGMJDIKEJ-UHFFFAOYSA-N
    InChI
    1S/C8H11ClO/c1-8(2)4-6(9)3-7(10)5-8/h3H,4-5H2,1-2H3
    Synonyms
    3-Chloro-5,5-dimethylcyclohex-2-en-1-one | 3-Chloro-5,5-dimethyl-2-cyclohexen-1-one
  12. 3,4,7,8-Tetrahydroquinoline-2,5(1H,6H)-dione
    CAS: 5057-12-5 PubChem CID: 293641 Formula: C9H11NO2 Molecular Weight: 165.19
    Solid ≥97%
    In Stock Item #: T697208
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    Technical Identifiers
    IUPAC Name
    1,3,4,6,7,8-hexahydroquinoline-2,5-dione
    SMILES
    C1CC2=C(CCC(=O)N2)C(=O)C1
    InChIKey
    KNRFNTVMEIIKEB-UHFFFAOYSA-N
    InChI
    1S/C9H11NO2/c11-8-3-1-2-7-6(8)4-5-9(12)10-7/h1-5H2,(H,10,12)
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