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Conyzatin

PubChem CID: 13916282

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Compound Synonyms Conyzatin, LMPK12113277, 5,7-dihydroxy-3,8,3',4',5'-pentamethoxyflavone, 5,7-dihydroxy-3,8-dimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one, 62953-00-8
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 113.0
Hydrogen Bond Donor Count 2.0
Pfizer 3 75 Rule True
Scaffold Graph Level CC1CC(C2CCCCC2)CC2CCCCC12
Np Classifier Class Flavonols
Deep Smiles COcccccc6OC)))OC))))coccOC))cO)ccc6c=O)c%10OC)))))O
Heavy Atom Count 29.0
Classyfire Class Flavonoids
Scaffold Graph Node Level OC1CC(C2CCCCC2)OC2CCCCC12
Classyfire Subclass O-methylated flavonoids
Isotope Atom Count 0.0
Molecular Complexity 607.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 5,7-dihydroxy-3,8-dimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
Prediction Hob 1.0
Veber Rule True
Classyfire Superclass Phenylpropanoids and polyketides
Xlogp 3.1
Gsk 4 400 Rule False
Molecular Formula C20H20O9
Scaffold Graph Node Bond Level O=c1cc(-c2ccccc2)oc2ccccc12
Prediction Swissadme 0.0
Inchi Key WFUOMXZWZFSZEM-UHFFFAOYSA-N
Silicos It Class Moderately soluble
Fcsp3 0.25
Logs -4.092
Rotatable Bond Count 6.0
Logd 2.601
Synonyms conyzatin
Esol Class Moderately soluble
Functional Groups c=O, cO, cOC, coc
Compound Name Conyzatin
Prediction Hob Swissadme 0.0
Exact Mass 404.111
Formal Charge 0.0
Monoisotopic Mass 404.111
Hydrogen Bond Acceptor Count 9.0
Molecular Weight 404.4
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 -3.9406760620689667
Inchi InChI=1S/C20H20O9/c1-24-12-6-9(7-13(25-2)18(12)27-4)16-20(28-5)15(23)14-10(21)8-11(22)17(26-3)19(14)29-16/h6-8,21-22H,1-5H3
Smiles COC1=CC(=CC(=C1OC)OC)C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)OC)OC
Nring 3.0
Np Classifier Biosynthetic Pathway Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Np Classifier Superclass Flavonoids