5,6,7,3'-Tetrahydroxy-3,4'-dimethoxyflavone

PubChem CID: 5320823

Connections displayed (default: 10).

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Compound Synonyms	Quercetagetin 3,4'-dimethyl ether, 5,6,7,3'-Tetrahydroxy-3,4'-dimethoxyflavone, 5,6,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxychromen-4-one, LMPK12112993
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	COcccccc6O)))cocccO)ccc6c=O)c%10OC)))))O))O
Heavy Atom Count	25.0
Classyfire Class	Flavonoids
Scaffold Graph Node Level	OC1CC(C2CCCCC2)OC2CCCCC12
Classyfire Subclass	O-methylated flavonoids
Isotope Atom Count	0.0
Molecular Complexity	547.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Iupac Name	5,6,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxychromen-4-one
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Phenylpropanoids and polyketides
Xlogp	2.5
Gsk 4 400 Rule	True
Molecular Formula	C17H14O8
Scaffold Graph Node Bond Level	O=c1cc(-c2ccccc2)oc2ccccc12
Prediction Swissadme	0.0
Inchi Key	LIIZTGPIKLYGNT-UHFFFAOYSA-N
Silicos It Class	Moderately soluble
Fcsp3	0.1176470588235294
Logs	-4.484
Rotatable Bond Count	3.0
Logd	3.761
Synonyms	quercetagetin 3',4'-dimethyl ether
Esol Class	Soluble
Functional Groups	c=O, cO, cOC, coc
Compound Name	5,6,7,3'-Tetrahydroxy-3,4'-dimethoxyflavone
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
Lipinski Rule Of 5	True
Esol	-3.4470042000000003
Inchi	InChI=1S/C17H14O8/c1-23-10-4-3-7(5-8(10)18)16-17(24-2)15(22)12-11(25-16)6-9(19)13(20)14(12)21/h3-6,18-21H,1-2H3
Smiles	COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C(=C3O)O)O)OC)O
Nring	2.0
Np Classifier Biosynthetic Pathway	Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Np Classifier Superclass	Flavonoids

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99. Outgoing r'ship FOUND_IN to/from Triumfetta Annua (Plant) Rel Props:Reference:
100. Outgoing r'ship FOUND_IN to/from Viguiera Annua (Plant) Rel Props:Reference:

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5,6,7,3'-Tetrahydroxy-3,4'-dimethoxyflavone

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Phytochemical Properties

Associated Connections 100

Plant Connections 100