2,6-Dimethoxyquinone
PubChem CID: 68262
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| Compound Synonyms | 2,6-Dimethoxy-1,4-benzoquinone, 530-55-2, 2,6-Dimethoxy-p-benzoquinone, 2,6-Dimethoxyquinone, 2,6-dimethoxycyclohexa-2,5-diene-1,4-dione, 2,6-Dimethoxybenzoquinone, 2,6-Dimethoxy-p-quinone, 2,5-Cyclohexadiene-1,4-dione, 2,6-dimethoxy-, NSC 24500, 2,6-Dimethoxysemiquinone anions, p-Benzoquinone, 2,6-dimethoxy-, EINECS 208-484-7, 2,6-Dimethoxy-2,5-cyclohexadiene-1,4-dione, NSC-56336, UNII-1Z701W789S, 2,6-Dimethoxybenzo-1,4-quinone, 2,6-Dimethoxysemiquinone radicals, NSC24500, MFCD00016368, NSC-24500, ghl.PD_Mitscher_leg0.4, 1Z701W789S, MLS002207260, NSC 56336, 26547-64-8, SMR001306787, p-Benzoquinone,6-dimethoxy-, 2,4-dione, 2,6-dimethoxy-, DIMETHOXYBENZOQUINONE,6-, 3,5-Dimethoxy-1,4-benzoquinone, 3,5-Dimethoxybenzoquinone, NSC 24500, 2,6-DMBQ, Spectrum_000723, 2, 6-Dimethoxyquinone, Maybridge1_002628, Spectrum2_000781, Spectrum3_000177, Spectrum4_001608, Spectrum5_000335, Quinone, 2,6-dimethoxy-, 2,6-Dimetoxy-p-benzoquinone, 2-6-DIMETHOXYQUINONE, BSPBio_001673, KBioGR_001955, KBioSS_001203, SPECTRUM200413, cid_68262, DivK1c_001380, SCHEMBL570683, SPBio_000882, 2, 6-Dimethoxy-p-benzoquinone, CHEMBL448515, BDBM80763, HMS548P10, KBio2_001203, KBio2_003771, KBio2_006339, KBio3_001173, OLBNOBQOQZRLMP-UHFFFAOYSA-, 2,6-dimethoxy[1,4]benzoquinone, DTXSID80862128, 3,5-Dimethoxy-1,4-benzoquinone, HMS1922P16, 2, 6-Dimethoxy-1,4-benzoquinone, 2,6-dimethoxy-[1,4]benzoquinone, DIMETHOXYBENZOQUINONE,2,6-, 2,6-DIMETHOXYQUINONE [MI], HY-N1677, NSC56336, CCG-40159, AKOS015851594, FD42586, FS-4243, SDCCGMLS-0066389.P001, CDS1_000340, 2,6-Dimethoxy-1,4-benzoquinone, 97%, NCGC00095215-01, NCGC00095215-02, NCGC00095215-03, NCGC00095215-04, NCI60_001958, PD002219, SY048603, DB-020224, CS-0017339, D2706, NS00006663, SR-05000002399, Q4596807, SR-05000002399-1, 2,5-Cyclohexadiene-1,4-dione, 2,6-dimethoxy- (9CI), 2,5-Cyclohexadiene-1,4-dione, 2,6-dimethoxy-, radical ion(1-), InChI=1/C8H8O4/c1-11-6-3-5(9)4-7(12-2)8(6)10/h3-4H,1-2H3, 208-484-7, KIA |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 52.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCC(C)CC1 |
| Np Classifier Class | Benzoquinones |
| Deep Smiles | COC=CC=O)C=CC6=O))OC |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Organooxygen compounds |
| Description | Constituent of bark of Phyllostachys heterocycla variety pubescens (moso bamboo). 2,6-Dimethoxy-1,4-benzoquinone is found in green vegetables and common wheat. |
| Scaffold Graph Node Level | OC1CCC(O)CC1 |
| Classyfire Subclass | Carbonyl compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 259.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q03164, B2RXH2, Q16637, P10636, P51450, P97697, O97447, O75604, P28482, P04637, P08684, Q16236, Q2TB90, P11473, O89049, P83916, P39748, Q9UNA4, P84022, O75496, Q99700, P43220, Q14191, Q57TT1, Q9NUW8, O75874, Q9Y6L6, Q9NPD5, Q03431, P53350, P63092, n.a. |
| Iupac Name | 2,6-dimethoxycyclohexa-2,5-diene-1,4-dione |
| Prediction Hob | 0.0 |
| Class | Carbonyl compounds |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Target Id | NPT48, NPT93, NPT51, NPT45, NPT282, NPT539, NPT109, NPT4034 |
| Xlogp | -0.1 |
| Superclass | Organooxygen compounds |
| Subclass | Ketones |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H8O4 |
| Scaffold Graph Node Bond Level | O=C1C=CC(=O)C=C1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OLBNOBQOQZRLMP-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.25 |
| Logs | -1.976 |
| Rotatable Bond Count | 2.0 |
| State | Solid |
| Logd | 0.44 |
| Synonyms | 2, 6-Dimethoxy-1,4-benzoquinone, 2, 6-Dimethoxy-p-benzoquinone, 2, 6-Dimethoxyquinone, 2,5-Cyclohexadiene-1,4-dione, 2,6-dimethoxy-, 2,5-Cyclohexadiene-1,4-dione, 2,6-dimethoxy- (9CI), 2,6-Dimethoxy-1,4-benzoquinone, 2,6-Dimethoxy-2,5-cyclohexadiene-1,4-dione, 2,6-Dimethoxy-p-benzoquinone, 2,6-Dimethoxy-p-quinone, 2,6-Dimethoxybenzo-1,4-quinone, 2,6-Dimethoxybenzoquinone, 2,6-Dimethoxyquinone, 2,6-dimethoxysemiquinone Anions, 2,6-Dimethoxysemiquinone radicals, 2,6-Dimetoxy-P-benzoquinone, DIMETHOXYBENZOQUINONE,2,6-, DMBQ, ghl.PD_Mitscher_leg0.4, p-Benzoquinone, 2,6-dimethoxy-, 2,6-Dimetoxy-p-benzoquinone, 2, 6-Dimethoxy-P-benzoquinone, 2,5-Cyclohexadiene-1,4-dione, 2,6-dimethoxy- (9ci), 2,6-Dimethoxy-P-benzoquinone, 2,6-Dimethoxy-P-quinone, 2,6-dimethoxybenzo-1,4-Quinone, 2,6-Dimethoxysemiquinone anions, Ghl.PD_Mitscher_leg0.4, 2,6 dimethoxybenzoquinone, 2,6-di-meo-benzoquinone, 2,6-di-ome-benzoquinone, 2,6-di-ome-quinone, 2,6-dimethoxy benzoquinone, 2,6-dimethoxy-1,4-benzoquinone, 2,6-dimethoxy-p-benzoquinone, 2,6-dimethoxybenzo-quinone, 2,6-dimethoxybenzoquinone, 2,6-dimethoxyquinone, 2-6 dimethoxy-benzoquinone |
| Substituent Name | P-benzoquinone, Vinylogous ester, Ether, Hydrocarbon derivative, Aliphatic homomonocyclic compound |
| Esol Class | Very soluble |
| Functional Groups | COC1=CC(=O)C=C(OC)C1=O |
| Compound Name | 2,6-Dimethoxyquinone |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 168.042 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 168.042 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 168.15 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -0.7127175999999998 |
| Inchi | InChI=1S/C8H8O4/c1-11-6-3-5(9)4-7(12-2)8(6)10/h3-4H,1-2H3 |
| Smiles | COC1=CC(=O)C=C(C1=O)OC |
| Nring | 1.0 |
| Np Classifier Biosynthetic Pathway | Polyketides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | P-benzoquinones |
| Np Classifier Superclass | Aromatic polyketides |
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FOUND_INto/from Acacia Melanoxylon (Plant) Rel Props:Reference:ISBN:9788185042084; ISBN:9788185042114 - 2. Outgoing r'ship
FOUND_INto/from Acacia Salicina (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Achillea Wilhelmsii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Adonis Vernalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Aeschynanthus Parvifolius (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Agathis Lanceolata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Ailanthus Altissima (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279 - 8. Outgoing r'ship
FOUND_INto/from Ailanthus Excelsa (Plant) Rel Props:Reference:ISBN:9788172360818 - 9. Outgoing r'ship
FOUND_INto/from Alstonia Angustiloba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Annona Cherimola (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Artemisia Pectinata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Baccharis Grandicapitulata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Backhousia Angustifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 14. Outgoing r'ship
FOUND_INto/from Bambusa Bambos (Plant) Rel Props:Reference:ISBN:9788185042145 - 15. Outgoing r'ship
FOUND_INto/from Beesia Calthifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 16. Outgoing r'ship
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FOUND_INto/from Bignonia Unguiscati (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 18. Outgoing r'ship
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FOUND_INto/from Botrychium Ternatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 22. Outgoing r'ship
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FOUND_INto/from Caesalpinia Pulcherrima (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279 - 24. Outgoing r'ship
FOUND_INto/from Cinnamomum Philippinense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 25. Outgoing r'ship
FOUND_INto/from Clerodendrum Trichotomum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 26. Outgoing r'ship
FOUND_INto/from Clinacanthus Nutans (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 27. Outgoing r'ship
FOUND_INto/from Coffea Liberica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 28. Outgoing r'ship
FOUND_INto/from Coronilla Hyrcana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 29. Outgoing r'ship
FOUND_INto/from Crotalaria Stolzii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 30. Outgoing r'ship
FOUND_INto/from Cunninghamia Lanceolata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 31. Outgoing r'ship
FOUND_INto/from Curcuma Aeruginosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 32. Outgoing r'ship
FOUND_INto/from Cyperus Capitatus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 33. Outgoing r'ship
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FOUND_INto/from Delphinium Tricorne (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 35. Outgoing r'ship
FOUND_INto/from Dioscorea Villosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 36. Outgoing r'ship
FOUND_INto/from Dracaena Concinna (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 37. Outgoing r'ship
FOUND_INto/from Engelhardtia Spicata (Plant) Rel Props:Reference:ISBN:9770972795006; ISBN:9788185042145 - 38. Outgoing r'ship
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FOUND_INto/from Euonymus Fortunei (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 43. Outgoing r'ship
FOUND_INto/from Euploca Racemosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 44. Outgoing r'ship
FOUND_INto/from Eurycoma Longifolia (Plant) Rel Props:Reference:ISBN:9788172360481 - 45. Outgoing r'ship
FOUND_INto/from Feronia Limonia (Plant) Rel Props:Reference:ISBN:9788172362300 - 46. Outgoing r'ship
FOUND_INto/from Fraxinus Szaboana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 47. Outgoing r'ship
FOUND_INto/from Gutierrezia Dracunculoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 48. Outgoing r'ship
FOUND_INto/from Gynura Segetum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 49. Outgoing r'ship
FOUND_INto/from Haemanthus Albiflos (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 50. Outgoing r'ship
FOUND_INto/from Hedysarum Gmelini (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 51. Outgoing r'ship
FOUND_INto/from Helenium Integrifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 52. Outgoing r'ship
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FOUND_INto/from Iris Milesii (Plant) Rel Props:Reference:ISBN:9770972795006 - 57. Outgoing r'ship
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FOUND_INto/from Isodon Amethystoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 59. Outgoing r'ship
FOUND_INto/from Isolona Pilosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 60. Outgoing r'ship
FOUND_INto/from Jatropha Gossypiifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 61. Outgoing r'ship
FOUND_INto/from Juniperus Ashei (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 62. Outgoing r'ship
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FOUND_INto/from Kalanchoe Blossfeldiana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 64. Outgoing r'ship
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FOUND_INto/from Lasianthaea Podocephala (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 66. Outgoing r'ship
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FOUND_INto/from Macaranga Tanarius (Plant) Rel Props:Reference:ISBN:9788185042138 - 72. Outgoing r'ship
FOUND_INto/from Magnolia Henryi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 73. Outgoing r'ship
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FOUND_INto/from Piper Brachystachyum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 84. Outgoing r'ship
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FOUND_INto/from Sassafras Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 97. Outgoing r'ship
FOUND_INto/from Selinum Libanotis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 98. Outgoing r'ship
FOUND_INto/from Senecio Congestus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 99. Outgoing r'ship
FOUND_INto/from Senna Alata (Plant) Rel Props:Reference:ISBN:9770972795006; ISBN:9788172362089 - 100. Outgoing r'ship
FOUND_INto/from Sibiraea Angustata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 101. Outgoing r'ship
FOUND_INto/from Sideritis Dasygnaphala (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 102. Outgoing r'ship
FOUND_INto/from Stellaria Media (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 103. Outgoing r'ship
FOUND_INto/from Tamarix Dioica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 104. Outgoing r'ship
FOUND_INto/from Tanacetum Nubigenum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 105. Outgoing r'ship
FOUND_INto/from Tephroseris Kirilowii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 106. Outgoing r'ship
FOUND_INto/from Tripterygium Wilfordii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 107. Outgoing r'ship
FOUND_INto/from Triticum Aestivum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 108. Outgoing r'ship
FOUND_INto/from Triticum Vulgare (Plant) Rel Props:Source_db:fooddb_chem_all - 109. Outgoing r'ship
FOUND_INto/from Valeriana Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 110. Outgoing r'ship
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FOUND_INto/from Zephyranthes Flava (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all