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Uvaretin

PubChem CID: 73447

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Compound Synonyms Uvaretin, 58449-06-2, 1-[2,4-dihydroxy-3-[(2-hydroxyphenyl)methyl]-6-methoxyphenyl]-3-phenylpropan-1-one, 1-(2,4-Dihydroxy-3-(2-hydroxybenzyl)-6-methoxyphenyl)-3-phenyl-1-propanone, VZ5C9UL7V1, CHEBI:9915, UNII-VZ5C9UL7V1, NSC 241906, NSC-241906, DTXSID50207148, NSC241906, 1-(2,4-Dihydroxy-3-((2-hydroxyphenyl)methyl)-6-methoxyphenyl)-3-phenyl-1-propanone, 1-[2,4-Dihydroxy-3-[(2-hydroxyphenyl)methyl]-6-methoxyphenyl]-3-phenyl-1-propanone, 1-[2,4-dihydroxy-3-(2-hydroxybenzyl)-6-methoxyphenyl]-3-phenylpropan-1-one, 1-PROPANONE, 1-(2,4-DIHYDROXY-3-((2-HYDROXYPHENYL)METHYL)-6-METHOXYPHENYL)-3-PHENYL-, 1-(2,4-dihydroxy-3-((2-hydroxyphenyl)methyl)-6-methoxyphenyl)-3-phenylpropan-1-one, 1-(2,4-dihydroxy-3-(2-hydroxybenzyl)-6-methoxyphenyl)-3-phenylpropan-1-one, 2',4'-Dihydroxy-3'-((2-hydroxyphenyl)methyl)6'-methoxy-7,8-dihydrochalcone, 2',4'-Dihydroxy-3'-[(2-hydroxyphenyl)methyl]6'-methoxy-7,8-dihydrochalcone, NCIMech_000569, CHEMBL523296, MEGxp0_001394, SCHEMBL4743874, ACon1_001408, DTXCID50129639, CCG-35562, HY-N10129, LMPK12120469, AKOS040758209, NCGC00180537-01, NCI60_001940, DB-291215, CS-0310817, C09978, BRD-K57086287-001-01-8, Q27089383, 1-[2,4-Dihydroxy-3-[(2-hydroxyphenyl)methyl ]-6-methoxyphenyl ]-3-phenyl-1-propanone, 1-Propanone,4-dihydroxy-3-[(2-hydroxyphenyl)methyl]-6-methoxyphenyl]-3-phenyl-
Topological Polar Surface Area 87.0
Hydrogen Bond Donor Count 3.0
Heavy Atom Count 28.0
Isotope Atom Count 0.0
Molecular Complexity 489.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 1-[2,4-dihydroxy-3-[(2-hydroxyphenyl)methyl]-6-methoxyphenyl]-3-phenylpropan-1-one
Nih Violation False
Prediction Hob 1.0
Xlogp 4.9
Is Pains False
Molecular Formula C23H22O5
Prediction Swissadme 0.0
Inchi Key LQHGGFQNRNEFIG-UHFFFAOYSA-N
Fcsp3 0.1739130434782608
Logs -4.321
Rotatable Bond Count 7.0
Logd 3.574
Compound Name Uvaretin
Prediction Hob Swissadme 0.0
Exact Mass 378.147
Formal Charge 0.0
Brenk Violation False
Monoisotopic Mass 378.147
Hydrogen Bond Acceptor Count 5.0
Molecular Weight 378.4
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -5.268043085714287
Inchi InChI=1S/C23H22O5/c1-28-21-14-20(26)17(13-16-9-5-6-10-18(16)24)23(27)22(21)19(25)12-11-15-7-3-2-4-8-15/h2-10,14,24,26-27H,11-13H2,1H3
Smiles COC1=C(C(=C(C(=C1)O)CC2=CC=CC=C2O)O)C(=O)CCC3=CC=CC=C3
Nring 3.0
Defined Bond Stereocenter Count 0.0