Zapotinin

PubChem CID: 44257595

Connections displayed (default: 10).

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Compound Synonyms	Zapotinin, 14813-20-8, 4P55Z8978Y, 2-(2,6-Dimethoxyphenyl)-5-hydroxy-6-methoxy-4H-1-benzopyran-4-one, UNII-4P55Z8978Y, 2-(2,6-Dimethoxyphenyl)-6-methoxy-5-oxidanyl-chromen-4-one, 4H-1-Benzopyran-4-one, 2-(2,6-dimethoxyphenyl)-5-hydroxy-6-methoxy-, 5-Hydroxy-2',6,6'-trimethoxyflavone, 2-(2,6-dimethoxyphenyl)-5-hydroxy-6-methoxychromen-4-one, SCHEMBL26115259, CHEBI:174393, DTXSID401169837, LMPK12110090, 5-hydroxy-2',6',6-trimeth-oxyflavone, Q63392082
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	74.2
Hydrogen Bond Donor Count	1.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	CC1CC(C2CCCCC2)CC2CCCCC12
Np Classifier Class	Flavones
Deep Smiles	COcccccc6ccc=O)cco6)cccc6O))OC)))))))))))OC
Heavy Atom Count	24.0
Classyfire Class	Flavonoids
Scaffold Graph Node Level	OC1CC(C2CCCCC2)OC2CCCCC12
Classyfire Subclass	O-methylated flavonoids
Isotope Atom Count	0.0
Molecular Complexity	478.0
Database Name	cmaup_ingredients;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Iupac Name	2-(2,6-dimethoxyphenyl)-5-hydroxy-6-methoxychromen-4-one
Prediction Hob	1.0
Class	Flavonoids
Veber Rule	True
Classyfire Superclass	Phenylpropanoids and polyketides
Xlogp	3.3
Superclass	Phenylpropanoids and polyketides
Subclass	O-methylated flavonoids
Gsk 4 400 Rule	True
Molecular Formula	C18H16O6
Scaffold Graph Node Bond Level	O=c1cc(-c2ccccc2)oc2ccccc12
Prediction Swissadme	0.0
Inchi Key	BFXYIQRRGIMMSR-UHFFFAOYSA-N
Silicos It Class	Moderately soluble
Fcsp3	0.1666666666666666
Rotatable Bond Count	4.0
State	Solid
Synonyms	5-Hydroxy-2',6,6'-trimethoxyflavone, zapotinin, zapotinin (5-hydroxy-2',6,6'-trimethoxyflavone)
Esol Class	Moderately soluble
Functional Groups	c=O, cO, cOC, coc
Compound Name	Zapotinin
Kingdom	Organic compounds
Prediction Hob Swissadme	0.0
Exact Mass	328.095
Formal Charge	0.0
Monoisotopic Mass	328.095
Hydrogen Bond Acceptor Count	6.0
Molecular Weight	328.3
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	-3.679917333333334
Inchi	InChI=1S/C18H16O6/c1-21-11-5-4-6-12(22-2)17(11)15-9-10(19)16-13(24-15)7-8-14(23-3)18(16)20/h4-9,20H,1-3H3
Smiles	COC1=C(C(=CC=C1)OC)C2=CC(=O)C3=C(O2)C=CC(=C3O)OC
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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168. Outgoing r'ship FOUND_IN to/from Ursinia Speciosa (Plant) Rel Props:Reference:

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Phytochemical Properties

Associated Connections 168

Plant Connections 168