8-Hydroxy-2-methoxy-6-methyl-1,4-naphthoquinone
PubChem CID: 5276616
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| Compound Synonyms | 8-Hydroxy-2-methoxy-6-methyl-1,4-naphthoquinone, 3-Methoxy-7-methyljuglone, 1589-92-0, 8-hydroxy-2-methoxy-6-methylnaphthalene-1,4-dione, CHEMBL449429, SCHEMBL10402096, CHEBI:174105, DTXSID101235394, 8-Hydroxy-2-methoxy-6-methyl-1,4-naphthalenedione, 8-hydroxy-2-methoxy-6-methyl-naphthalene-1,4-dione, 1,4-Naphthalenedione, 8-hydroxy-2-methoxy-6-methyl-, 8-Hydroxy-2-methoxy-6-methylnaphthalene-1,4-dione, 9CI, 8-hydroxy-2-methoxy-6-methyl-1,4-dihydronaphthalene-1,4-dione |
|---|---|
| Topological Polar Surface Area | 63.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Description | Root constituent of Diospyros kaki (Japanese persimmon) Scabies is a common, highly pruritic infestation of the skin caused by Sarcoptes scabiei (lice). It is a very contagious condition with specific lesions, such as burrows, and nonspecific lesions, such as papules, vesicles and excoriations. The typical areas of the body it affects are finger webs, scalp (hair), wrists, axillary folds, abdomen, buttocks, inframammary folds and genitalia (males). It is characterized by intense night-time itching. Scabies is spread through close personal contact (relatives, sexual partners, schoolchildren, chronically ill patients and crowded communities). Scabies infestations and the corresponding symptoms can be eliminated by killing the scabies with topical insecticides or scabicides. Lindane is a scabicide that is essentially and organochloride insecticide. 8-Hydroxy-2-methoxy-6-methyl-1,4-naphthoquinone is found in fruits. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 358.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-hydroxy-2-methoxy-6-methylnaphthalene-1,4-dione |
| Prediction Hob | 1.0 |
| Class | Naphthalenes |
| Xlogp | 2.2 |
| Superclass | Benzenoids |
| Subclass | Naphthoquinones |
| Molecular Formula | C12H10O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KDBWUCIHUALFON-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -3.417 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.875 |
| Synonyms | (1r,2c,3c,4t,5c,6t)-1,2,3,4,5,6-hexachlorocyclohexane, (1r,2c,3t,4t,5c,6t)-1,2,3,4,5,6-hexachlorocyclohexane, (1r,2r,3r,4r,5r,6r)-1,2,3,4,5,6-hexachlorocyclohexane, (1R,2R,3R,4R,5S,6S)-1,2,3,4,5,6-hexachlorocyclohexane, (1r,2R,3S,4r,5R,6S)-1,2,3,4,5,6-hexachlorocyclohexane, (1r,2R,3S,4s,5R,6S)-1,2,3,4,5,6-hexachlorocyclohexane, (1R,2R,3S,4S,5S,6S)-1,2,3,4,5,6-hexachlorocyclohexane, (1s,2R,3R,4s,5S,6S)-1,2,3,4,5,6-hexachlorocyclohexane, 1,2,3,4,5,6-hexachlorocyclohexane, 1,2,3,4,5,6-Hexachlorocyclohexane (all stereo isomers), 1,2,3,4,5,6-Hexachlorocyclohexane (mixture of isomers), 1,2,3,4,5,6-Hexachlorocyclohexane gamma isomer, 1,2,3,4,5,6-hexachlorocyclohexane, alpha isomer, 1,2,3,4,5,6-Hexachlorocyclohexane, gamma-isomer, 1a,2a,3b,4a,5b,6b-hexachlorocyclohexane, 1a,2b,3a,4b,5a,6b-hexachlorocyclohexane, 3-Methoxy-7-methyljuglone, 8-Hydroxy-2-methoxy-6-methyl-1,4-naphthoquinone, 8-Hydroxy-2-methoxy-6-methylnaphthalene-1,4-dione, 9CI, Aalindan, Aficide, agrisol g-20, Agrocide, agrocide 2, agrocide 6g, agrocide 7, Agrocide III, Agrocide WP, Agronexit, Alpha- BHC, alpha-1,2,3,4,5,6-Hexachlorocyclohexane, Alpha-benzene hexachloride, Alpha-benzenehexachloride, Alpha-BHC, Alpha-HCH, Alpha-HCH [hexachlorocyclohexanes], Alpha-hexachloran, Alpha-hexachlorane, Alpha-hexachlorocyclohexane, Alpha-hexachlorocyclohexanes, Alpha-lindane, Am eisenatod, Ameisenatod, Ameisenmittel merck, Ameisentod, Aparasin, Aphtiria, Aphtitria, Aplidal, Arbitex, Arcotal s, BBH, BCH, Ben-hex, Benhexachlor, Benhexol, bentox 10, Benzanex, Benzene hexachloride, Benzene hexachloride (ambiguous), Benzene hexachloride-alpha-isomer, Benzene hexachloride-gamma isomer, Benzene hexachloride-gamma-isomer, Benzene hexachloride, all isomers, Benzene-1,2,3,4,5,6-hexachloride ((Ambiguous), Benzene-cis-hexachloride, Benzene-trans-hexachloride, Benzenehexachloride-alpha-isomer, Benzenehexachloride, mixed isomers, Benzex, beta-1,2,3,4,5,6-Hexachlorocyclohexane, Beta-benzene hexachloride, Beta-BHC, Beta-HCH, Beta-HCH [hexachlorocyclohexanes], Beta-hexac hlorocyclohexane, Beta-hexachloran, Beta-hexachlorobenzene, Beta-hexachlorocyclohexane, Beta-hexachlorocyclohexanes, Beta-isomer, Beta-lindane, Bexol, BHC (alpha-, beta-, gamma-), BHC (insecticide), BHC insecticide, BHC or HCH, Borer spray, Celanex, Chinoin brand of lindane, Chloresene, Codechine, CPD with unspecified stereochemistry, Cyclohexane, 1,2,3,4,5,6-hexachloro-, Cyclohexane, 1,2,3,4,5,6-hexachloro-, (mixed isomers), Cyclohexane, 1,2,3,4,5,6-hexachloro-, alpha-, Cyclohexane, 1,2,3,4,5,6-hexachloro-, alpha-isomer, Cyclohexane, 1,2,3,4,5,6-hexachloro-, beta-isomer, Cyclohexane, 1,2,3,4,5,6-hexachloro-, delta-, Cyclohexane, 1,2,3,4,5,6-hexachloro-, delta-isomer, Cyclohexane, 1,2,3,4,5,6-hexachloro-, gamma-, Cyclohexane, 1,2,3,4,5,6-hexachloro-, gamma-isomer, Cyclohexane, beta-1,2,3,4,5,6-hexachloro-, Cyclohexane, delta-1,2,3,4,5,6-hexachloro-, Delitex, delta-(Aeeeee)-1,2,3,4,5,6-hexachlorocyclohexane, delta-1,2,3,4,5,6-Hexachlorocyclohexane, Delta-benzene hexachloride, Delta-benzenehexachloride, Delta-BHC, Delta-HCH, Delta-hexachlorocyclohexane, Delta-lindane, Detmol extract, Detmol-extrakt, detox 25, Devoran, Dol granule, Dolmix, Drill tox-spezial aglukon, Drilltox-spezial aglukon, Entomoxan, Epsilon HCH, Epsilon-benzenehexachloride, Epsilon-HCH, Epsilon-hexachlorocyclohexane, Eso derm, Esoderm, Exagama, Fenoform forte, Forlin, Forst-nexen, Gallogama, Gamacarbatox, Gamacid, Gamacide, Gamacide 20, Gamaphex, Gamene, Gamiso, Gamma 666, Gamma benzene hexachloride, Gamma BHC, Gamma hexachlor, Gamma hexachlorocyclohexane, Gamma-:hexachlorocyclohexane, gamma-1,2,3,4,5,6-Hexachlorocyclohexane, Gamma-666, Gamma-benzene hexachloride, Gamma-benzenehexachloride, Gamma-benzohexachloride, Gamma-BHC, Gamma-BHC (lindane), Gamma-BHC benhexachlor, Gamma-col, Gamma-HCH, Gamma-HCH [hexachlorocyclohexanes], Gamma-HCH or gamma-BHC, Gamma-hexachlorane, Gamma-hexachlorcyclohexanum, Gamma-hexachlorobenzene, Gamma-hexachlorocyclohexane, Gamma-linda ne, Gamma-lindane, Gamma-mean 400, Gamma666, Gammahexa, Gammahexane, Gammalin, gammalin 20, Gammaterr, Gammex, Gammexane, Gammopaz, Gamtox, Geobilan, geolin g 3, Gexane, Gyben, H.c.h, HCH, HCH (alpha), HCH (beta), HCH [bsi], HCH [iso], Heclotox, Hecoltox, Hexablanc, Hexachlor, Hexachloran, Hexachlorane, Hexachlorcyclohexan, Hexachloride, benzene, Hexachloride, gamma-benzene, Hexachlorocyclohexane, Hexachlorocyclohexane (all isomers), Hexachlorocyclohexane (mixed isomers), Hexachlorocyclohexane (mixture), Hexachlorocyclohexane (technical grade), Hexachlorocyclohexane-alpha, Hexachlorocyclohexane-beta, Hexachlorocyclohexane, alpha-, Hexachlorocyclohexane, beta-, Hexachlorocyclohexane, delta-, Hexachlorocyclohexane, gamma isomer, Hexachlorocyclohexane, gamma-, Hexachlorocyclohexane, gamma-isomer, Hexachlorocyclohexanes, Hexachlorzyklohexan, Hexamul, Hexapoudre, Hexatox, Hexaverm, Hexcidum, Hexicide, Hexyclan, HGI, Hilbeec h, Hilbeech, Hortex, hungaria l7, Inexit, Infectopharm brand of lindane, Insecticide, BHC, Isatox, Isot ox, Isotox, Jacutin, Kokotine, Kwell, Kwell-r, Lacco hi lin, Lasochron, Lendine, Lentox, Lidenal, Lindafor, Lindagam, Lindagrain, Lindagranox, Lindalo, Lindam ul, Lindamul, Lindane, Lindane (benzene hexachloroide-gamma isomer), Lindane (gamma-HCH), Lindane [hexachlorocyclohexanes], Lindane [usan:inn:ban], Lindapoudre, Lindaterra, Lindatox, Lindex, Lindosep, Lintox, Linvur, Lorexane, Mglawik l, milbol 49, Mszycol, Neo-scabicidol, Nexen FB, Nexen-FB, Nexi t-stark, Nexit, Nexit-stark, Nexol-e, Nicochloran, Novigam, Novigan, Omnitox, Ovadziak, Owadziak, Pedraczak, Pflanzol, Pharmascience brand of lindane, PLK, PMS lindane, PMS-lindane, Pmslindane, Quellada, Sang gamma, Scabecid, Scabene, Scabisan, Silvanol, Spritz-rapidin, Spritzlindane, Spruehpflanzol, Stiefel brand of lindane, Streunex, Submar, T-HCH, TBH, Technical HCH, Technical hexachlorocyclohexane, Tetocid, Trans-alpha-benzenehexachloride, Tri-6, Trives-t, Verindal ultra, Viton |
| Substituent Name | Naphthoquinone, Nitrotoluene, Aryl ketone, Quinone, M-cresol, Vinylogous ester, Vinylogous acid, Ketone, Ether, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Aromatic homopolycyclic compound |
| Compound Name | 8-Hydroxy-2-methoxy-6-methyl-1,4-naphthoquinone |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 218.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 218.058 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 218.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.7840895999999997 |
| Inchi | InChI=1S/C12H10O4/c1-6-3-7-8(13)5-10(16-2)12(15)11(7)9(14)4-6/h3-5,14H,1-2H3 |
| Smiles | CC1=CC2=C(C(=C1)O)C(=O)C(=CC2=O)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Diospyros Kaki (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Diospyros Maritima (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Glabra (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all