Eupatolitin

PubChem CID: 5317291

Connections displayed (default: 10).

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Compound Synonyms	Eupatolitin, Eupatoletin, 29536-44-5, 9KB4QHZ4YG, 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-6,7-dimethoxychromen-4-one, CHEBI:81340, 3,3',4',5-tetrahydroxy-6,7-dimethoxyflavone, DTXSID80183724, 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-6,7-dimethoxy-4H-1-benzopyran-4-one, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-6,7-dimethoxy-, FLAVONE, 3,3',4',5-TETRAHYDROXY-6,7-DIMETHOXY-, 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-6,7-dimethoxy-4H-chromen-4-one, UNII-9KB4QHZ4YG, 6-Methoxy-7-methylquercetin, DTXCID20106215, HY-N10886, LMPK12112994, AKOS040735123, FS-7913, DA-53064, CS-0637328, 3,5,3',4'-tetrahydroxy-6,7-dimethoxyflavone, C17788, Q5409931
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	126.0
Hydrogen Bond Donor Count	4.0
Pfizer 3 75 Rule	True
Scaffold Graph Level	CC1CC(C2CCCCC2)CC2CCCCC12
Np Classifier Class	Flavonols
Deep Smiles	COcccoccccccc6)O))O)))))cc=O)c6cc%10OC)))O))))O
Heavy Atom Count	25.0
Classyfire Class	Flavonoids
Description	6-methoxy-7-methylquercetin, also known as eupatoletin, is a member of the class of compounds known as flavonols. Flavonols are compounds that contain a flavone (2-phenyl-1-benzopyran-4-one) backbone carrying a hydroxyl group at the 3-position. Thus, 6-methoxy-7-methylquercetin is considered to be a flavonoid lipid molecule. 6-methoxy-7-methylquercetin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 6-methoxy-7-methylquercetin can be found in german camomile, which makes 6-methoxy-7-methylquercetin a potential biomarker for the consumption of this food product.
Scaffold Graph Node Level	OC1CC(C2CCCCC2)OC2CCCCC12
Classyfire Subclass	Flavones
Isotope Atom Count	0.0
Molecular Complexity	547.0
Database Name	cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Iupac Name	2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-6,7-dimethoxychromen-4-one
Prediction Hob	1.0
Class	Flavonoids
Veber Rule	True
Classyfire Superclass	Phenylpropanoids and polyketides
Xlogp	2.5
Superclass	Phenylpropanoids and polyketides
Subclass	Flavones
Gsk 4 400 Rule	True
Molecular Formula	C17H14O8
Scaffold Graph Node Bond Level	O=c1cc(-c2ccccc2)oc2ccccc12
Prediction Swissadme	0.0
Inchi Key	WYKWHSPRHPZRCR-UHFFFAOYSA-N
Silicos It Class	Moderately soluble
Fcsp3	0.1176470588235294
Logs	-3.667
Rotatable Bond Count	3.0
Logd	1.98
Synonyms	6-Methoxy-7-methylquercetin, 6,7-Dimethoxyquercetin, Eupatoletin, eupatoletin, eupatolitin(3,5,3',4'-tetrahydroxy-6,7-dimethoxyflavone)
Esol Class	Soluble
Functional Groups	c=O, cO, cOC, coc
Compound Name	Eupatolitin
Kingdom	Organic compounds
Prediction Hob Swissadme	0.0
Exact Mass	346.069
Formal Charge	0.0
Monoisotopic Mass	346.069
Hydrogen Bond Acceptor Count	8.0
Molecular Weight	346.3
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	-3.4470042000000003
Inchi	InChI=1S/C17H14O8/c1-23-11-6-10-12(14(21)17(11)24-2)13(20)15(22)16(25-10)7-3-4-8(18)9(19)5-7/h3-6,18-19,21-22H,1-2H3
Smiles	COC1=C(C(=C2C(=C1)OC(=C(C2=O)O)C3=CC(=C(C=C3)O)O)O)OC
Nring	3.0
Np Classifier Biosynthetic Pathway	Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Taxonomy Direct Parent	Flavonols
Np Classifier Superclass	Flavonoids

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84. Outgoing r'ship FOUND_IN to/from Artemisia Scoparia (Plant) Rel Props:Reference:ISBN:9788185042114
85. Outgoing r'ship FOUND_IN to/from Artemisia Sieversiana (Plant) Rel Props:Reference:
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120. Outgoing r'ship FOUND_IN to/from Eupatorium Fortunei (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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149. Outgoing r'ship FOUND_IN to/from Matricaria Chamomilla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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160. Outgoing r'ship FOUND_IN to/from Viguiera Annua (Plant) Rel Props:Reference:

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Phytochemical Properties

Associated Connections 160

Plant Connections 160