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Diosmetin

PubChem CID: 5281612

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Compound Synonyms Diosmetin, 520-34-3, 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-chromen-4-one, Luteolin 4'-methyl ether, 4'-Methylluteolin, Salinigricoflavonol, Diosmetine, Pillon, 3',5,7-trihydroxy-4'-methoxyflavone, 5,7,3'-Trihydroxy-4'-methoxyflavone, 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one, UNII-TWZ37241OT, MFCD00017425, 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-, 5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-benzopyrone, DIOSMETOL, CHEBI:4630, TWZ37241OT, 5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one, HSDB 8101, EINECS 208-291-8, Flavone, 3',5,7-trihydroxy-4'-methoxy-, LUTEOLIN-4'-METHYL ETHER, DTXSID80199966, CYANIDENON-4'-METHYL ETHER 1479, Luteolin 4-methyl ether, SR-05000002196, 5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one (Diosmetin), Diosmetin (Standard), 3',5,7-trihydroxy-4'-methoxy flavone, Spectrum_001505, SpecPlus_000435, DIOSMETIN [MI], Spectrum2_001638, Spectrum3_000987, Spectrum4_001113, Spectrum5_001707, DIOSMETIN [WHO-DD], BSPBio_002653, KBioGR_001586, KBioSS_001985, MLS006011843, CHEMBL90568, Diosmetin, analytical standard, DivK1c_006531, SCHEMBL289337, SPBio_001735, BDBM23414, HY-N0125R, KBio1_001475, KBio2_001985, KBio2_004553, KBio2_007121, KBio3_001873, DTXCID40122457, 5,7-dihydroxy-2-(3-hydroxy-4-methoxy-phenyl)chromen-4-one, HMS3656G13, HMS3753G11, BCP28283, HY-N0125, BBL027839, CCG-38758, Diosmetin (Luteolin 4-methyl ether), LMPK12110824, s2380, STL146390, AKOS005720974, CS-5455, DB11259, FD22465, SDCCGMLS-0066783.P001, NCGC00163540-01, NCGC00163540-02, NCGC00163540-03, NCGC00178549-01, AC-34868, BS-17174, SMR002044787, SY066981, DB-050154, D4441, NS00014641, SW219332-1, Whoo Gongjinhyang Seol Whitening Jin Essence, ISAKNOX X202 WHITENING SECRET ESSENCE, C10038, A828902, AN-668/21246025, ISA KNOX WXII PLUS WHITENING REVOLUTION SERUM, Q1649664, SR-05000002196-2, SR-05000002196-3, BRD-K26862302-001-02-9, BRD-K26862302-001-03-7, BRD-K26862302-001-05-2, 2-(4-methoxy-3-oxidanyl-phenyl)-5,7-bis(oxidanyl)chromen-4-one, 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-1-benzopyran-4-one, 208-291-8, 5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one, 4'-Methoxy-5,7,3'-Trihydroxyflavone, J8D
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 96.2
Hydrogen Bond Donor Count 3.0
Pfizer 3 75 Rule True
Scaffold Graph Level CC1CC(C2CCCCC2)CC2CCCCC12
Np Classifier Class Flavones
Deep Smiles COcccccc6O)))ccc=O)cco6)cccc6O)))O
Heavy Atom Count 22.0
Classyfire Class Flavonoids
Description Isolated from peel of lemon (Citrus limon) and others. Diosmetin is found in many foods, some of which are spearmint, citrus, rosemary, and common thyme.
Scaffold Graph Node Level OC1CC(C2CCCCC2)OC2CCCCC12
Classyfire Subclass O-methylated flavonoids
Isotope Atom Count 0.0
Molecular Complexity 462.0
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id P22309, P0DMM9, P04745, P33527, Q92887, P37231, Q07869, P05177, P04798, Q16678, O42275, P81908, Q03181, Q9Y6L6, Q9NPD5, n.a., P27695, P22734, Q15118, O60341, P18031, Q9UHH9, Q8NFU5, P0DTD1
Iupac Name 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one
Prediction Hob 1.0
Class Flavonoids
Veber Rule True
Classyfire Superclass Phenylpropanoids and polyketides
Target Id NPT1594, NPT208, NPT1603, NPT1604
Xlogp 1.7
Superclass Phenylpropanoids and polyketides
Subclass O-methylated flavonoids
Gsk 4 400 Rule True
Molecular Formula C16H12O6
Scaffold Graph Node Bond Level O=c1cc(-c2ccccc2)oc2ccccc12
Prediction Swissadme 0.0
Inchi Key MBNGWHIJMBWFHU-UHFFFAOYSA-N
Silicos It Class Moderately soluble
Fcsp3 0.0625
Logs -3.31
Rotatable Bond Count 2.0
State Solid
Logd 3.988
Synonyms 3',5,7-Trihydroxy-4'-methoxyflavone, 4'-Methylluteolin, 5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-benzopyrone, 5,7,3'-Trihydroxy-4'-methoxyflavone, Diosmetin, Luteolin 4'-methyl ether, Salinigricoflavonol, Vitamin P, 5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one, 3,5,7-trihydroxy-4-methoxyflavone, diosmetin
Substituent Name 4p-methoxyflavonoid-skeleton, Hydroxyflavonoid, Flavone, 7-hydroxyflavonoid, 5-hydroxyflavonoid, 3'-hydroxyflavonoid, Chromone, 1-benzopyran, Methoxyphenol, Benzopyran, Methoxybenzene, Resorcinol, Phenol ether, Anisole, Pyranone, Phenol, Alkyl aryl ether, Benzenoid, Pyran, Monocyclic benzene moiety, Heteroaromatic compound, Vinylogous acid, Oxacycle, Organoheterocyclic compound, Ether, Hydrocarbon derivative, Organooxygen compound, Aromatic heteropolycyclic compound
Esol Class Moderately soluble
Functional Groups c=O, cO, cOC, coc
Compound Name Diosmetin
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 300.063
Formal Charge 0.0
Monoisotopic Mass 300.063
Hydrogen Bond Acceptor Count 6.0
Molecular Weight 300.26
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aromatic heteropolycyclic compounds
Lipinski Rule Of 5 True
Esol -3.273331018181818
Inchi InChI=1S/C16H12O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-7,17-19H,1H3
Smiles COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O
Nring 0.0
Np Classifier Biosynthetic Pathway Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Taxonomy Direct Parent 4'-O-methylated flavonoids
Np Classifier Superclass Flavonoids

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