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Eucalyptin

PubChem CID: 76573

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Compound Synonyms Eucalyptin, 3122-88-1, 5-hydroxy-7,4'-dimethoxy-6,8-dimethylflavone, 5-Hydroxy-7-methoxy-2-(4-methoxyphenyl)-6,8-dimethyl-4H-chromen-4-one, 5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-6,8-dimethylchromen-4-one, EINECS 221-502-8, DTXSID60185145, 4',7-Dimethoxy-6,8-dimethyl-5-hydroxyflavone, Flavone, 5-hydroxy-4',7-dimethoxy-6,8-dimethyl-, 4',7-Dimethoxy-6,8-dimethyl-5-hydroxyflavone, Eucalyptin, 5-hydroxy-4',7-dimethoxy-6,8-dimethylflavone, SCHEMBL1250942, CHEMBL4750729, DTXCID70107636, CHEBI:230595, NHMMAMIRMITGRD-UHFFFAOYSA-N, HY-N3876, 5-Hydroxy-7-methoxy-2-(4-methoxyphenyl)-6,8-dimethyl-4-benzopyrone, LMPK12111028, AKOS016009468, FH65298, FS-9743, DB-047989, CS-0024388, NS00029040, B0005-178920
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 65.0
Hydrogen Bond Donor Count 1.0
Pfizer 3 75 Rule False
Scaffold Graph Level CC1CC(C2CCCCC2)CC2CCCCC12
Np Classifier Class Flavones
Deep Smiles COcccccc6))ccc=O)cco6)cC)ccc6O))C))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 494.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-6,8-dimethylchromen-4-one
Prediction Hob 1.0
Veber Rule True
Classyfire Superclass Phenylpropanoids and polyketides
Xlogp 4.0
Gsk 4 400 Rule True
Molecular Formula C19H18O5
Scaffold Graph Node Bond Level O=c1cc(-c2ccccc2)oc2ccccc12
Prediction Swissadme 0.0
Inchi Key NHMMAMIRMITGRD-UHFFFAOYSA-N
Silicos It Class Poorly soluble
Fcsp3 0.2105263157894736
Logs -4.511
Rotatable Bond Count 3.0
Logd 3.141
Synonyms 5-hydroxy-4',7-dimethoxy-6,8-dimethylflavone, eucalyptin
Esol Class Moderately soluble
Functional Groups c=O, cO, cOC, coc
Compound Name Eucalyptin
Prediction Hob Swissadme 0.0
Exact Mass 326.115
Formal Charge 0.0
Monoisotopic Mass 326.115
Hydrogen Bond Acceptor Count 5.0
Molecular Weight 326.3
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 -4.212490933333334
Inchi InChI=1S/C19H18O5/c1-10-17(21)16-14(20)9-15(12-5-7-13(22-3)8-6-12)24-19(16)11(2)18(10)23-4/h5-9,21H,1-4H3
Smiles CC1=C(C2=C(C(=C1OC)C)OC(=CC2=O)C3=CC=C(C=C3)OC)O
Nring 3.0
Np Classifier Biosynthetic Pathway Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Np Classifier Superclass Flavonoids