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Uralene

PubChem CID: 192490

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Compound Synonyms Uralene, 150853-99-9, 5,6,3',4'-Tetrahydroxy-3-methoxy-6'-isoprenylflavone, 2-[4,5-dihydroxy-2-(3-methylbut-2-enyl)phenyl]-5,6-dihydroxy-3-methoxychromen-4-one, 4',5,5',6-tetrahydroxy-3-methoxy-2'-prenylflavone, 2-(4,5-Dihydroxy-2-(3-methylbut-2-en-1-yl)phenyl)-5,6-dihydroxy-3-methoxy-4H-chromen-4-one, 2-[4,5-dihydroxy-2-(3-methylbut-2-en-1-yl)phenyl]-5,6-dihydroxy-3-methoxy-4H-chromen-4-one, SCHEMBL3977970, DTXSID30934107, CHEBI:175907, LMPK12111615, 2-[4,5-Dihydroxy-2-(3-methyl-2-butenyl)phenyl]-5,6-dihydroxy-3-methoxy-4H-1-benzopyran-4-one, 2-[4,5-Dihydroxy-2-(3-methylbut-2-en-1-yl)phenyl]-5,6-dihydroxy-3-methoxy-4H-1-benzopyran-4-one, 4H-1-Benzopyran-4-one, 2-(4,5-dihydroxy-2-(3-methyl-2-butenyl)phenyl)-5,6-dihydroxy-3-methoxy-
Topological Polar Surface Area 116.0
Hydrogen Bond Donor Count 4.0
Heavy Atom Count 28.0
Description Constituent of the leaves of Glycyrrhiza uralensis (Chinese licorice). Uralene is found in herbs and spices.
Isotope Atom Count 0.0
Molecular Complexity 651.0
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 2-[4,5-dihydroxy-2-(3-methylbut-2-enyl)phenyl]-5,6-dihydroxy-3-methoxychromen-4-one
Prediction Hob 1.0
Class Flavonoids
Xlogp 4.4
Superclass Phenylpropanoids and polyketides
Subclass O-methylated flavonoids
Molecular Formula C21H20O7
Prediction Swissadme 0.0
Inchi Key QSIXTSXIETZHGN-UHFFFAOYSA-N
Fcsp3 0.1904761904761904
Logs -3.899
Rotatable Bond Count 4.0
State Solid
Logd 2.758
Synonyms 2-[4,5-Dihydroxy-2-(3-methyl-2-butenyl)phenyl]-5,6-dihydroxy-3-methoxy-4H-1-benzopyran-4-one, 4',5,5',6-Tetrahydroxy-3-methoxy-2'-prenylflavone, 5,6,3',4'-Tetrahydroxy-3-methoxy-6'-isoprenylflavone, Uralene
Substituent Name 3-methoxyflavonoid-skeleton, Hydroxyflavonoid, Flavone, 6-hydroxyflavonoid, 5-hydroxyflavonoid, 4'-hydroxyflavonoid, 3'-hydroxyflavonoid, 2'-prenylated flavone, Chromone, 1-benzopyran, Benzopyran, 1,2-diphenol, Pyranone, Phenol, Alkyl aryl ether, Benzenoid, Pyran, Monocyclic benzene moiety, Heteroaromatic compound, Vinylogous acid, Oxacycle, Organoheterocyclic compound, Ether, Hydrocarbon derivative, Organooxygen compound, Aromatic heteropolycyclic compound
Compound Name Uralene
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 384.121
Formal Charge 0.0
Monoisotopic Mass 384.121
Hydrogen Bond Acceptor Count 7.0
Molecular Weight 384.4
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aromatic heteropolycyclic compounds
Esol -4.801237942857142
Inchi InChI=1S/C21H20O7/c1-10(2)4-5-11-8-14(23)15(24)9-12(11)20-21(27-3)19(26)17-16(28-20)7-6-13(22)18(17)25/h4,6-9,22-25H,5H2,1-3H3
Smiles CC(=CCC1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C=CC(=C3O)O)OC)O)O)C
Nring 3.0
Defined Bond Stereocenter Count 0.0
Taxonomy Direct Parent 2'-prenylated flavones