Zapotin

PubChem CID: 629965

Connections displayed (default: 10).

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Compound Synonyms	Zapotin, 14813-19-5, 4H-1-Benzopyran-4-one, 2-(2,6-dimethoxyphenyl)-5,6-dimethoxy-, 2-(2,6-dimethoxyphenyl)-5,6-dimethoxychromen-4-one, Z7CW4S27SB, Flavone, 2',5,6,6'-tetramethoxy-, 5,6,2',6'-tetramethoxyflavone, UNII-Z7CW4S27SB, 2-(2,6-Dimethoxyphenyl)-5,6-dimethoxy-chromen-4-one, CHEMBL375582, 2',5,6,6'-Tetramethoxyflavone, 2-(2,6-Dimethoxyphenyl)-5,6-dimethoxy-4H-1-benzopyran-4-one, DTXSID80348078, 2-(2,6-Dimethoxyphenyl)-5,6-dimethoxy-4H-chromen-4-one, 562'6'-Tetramethoxyflavone, SCHEMBL3307703, 2',6',5,6-Tetramethoxyflavon, DTXCID60299150, CHEBI:175322, 5,6,2'',6''-tetramethoxyflavone, BDBM50202558, LMPK12110091, AKOS015906458, AS-82604, DA-10078, XZ161513, E77666, Q10861069, 2-(2,6-Dimethoxyphenyl)-5,6-dimethoxy-4H-chromen-4-one #, 5,6,2 ,6 -Tetramethoxyflavone, 2-(2,6-Dimethoxyphenyl)-5,6-dimethoxy-4H-1-benzopyran-4-one
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	63.2
Hydrogen Bond Donor Count	0.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	CC1CC(C2CCCCC2)CC2CCCCC12
Np Classifier Class	Flavones
Deep Smiles	COcccccc6ccc=O)cco6)cccc6OC)))OC)))))))))))OC
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	492.0
Database Name	cmaup_ingredients;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Uniprot Id	P11926
Iupac Name	2-(2,6-dimethoxyphenyl)-5,6-dimethoxychromen-4-one
Prediction Hob	1.0
Class	Flavonoids
Veber Rule	True
Classyfire Superclass	Phenylpropanoids and polyketides
Target Id	NPT2680
Xlogp	3.1
Superclass	Phenylpropanoids and polyketides
Subclass	O-methylated flavonoids
Gsk 4 400 Rule	True
Molecular Formula	C19H18O6
Scaffold Graph Node Bond Level	O=c1cc(-c2ccccc2)oc2ccccc12
Prediction Swissadme	0.0
Inchi Key	PBQMALAAFQMDSP-UHFFFAOYSA-N
Silicos It Class	Poorly soluble
Fcsp3	0.2105263157894736
Logs	-4.088
Rotatable Bond Count	5.0
State	Solid
Logd	2.591
Synonyms	562'6'-Tetramethoxyflavone, 2',5,6,6'-Tetramethoxyflavone, 5,6,2',6'-Tetramethoxyflavone, zapotin, zapotin (2',5,6,6'-tetramethoxyflavone)
Esol Class	Moderately soluble
Functional Groups	c=O, cOC, coc
Compound Name	Zapotin
Kingdom	Organic compounds
Prediction Hob Swissadme	0.0
Exact Mass	342.11
Formal Charge	0.0
Monoisotopic Mass	342.11
Hydrogen Bond Acceptor Count	6.0
Molecular Weight	342.3
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	-3.5425514000000007
Inchi	InChI=1S/C19H18O6/c1-21-12-6-5-7-13(22-2)18(12)16-10-11(20)17-14(25-16)8-9-15(23-3)19(17)24-4/h5-10H,1-4H3
Smiles	COC1=C(C(=CC=C1)OC)C2=CC(=O)C3=C(O2)C=CC(=C3OC)OC
Nring	3.0
Np Classifier Biosynthetic Pathway	Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Taxonomy Direct Parent	6-O-methylated flavonoids
Np Classifier Superclass	Flavonoids

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Phytochemical Properties

Associated Connections 168

Plant Connections 168