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Diuvaretin

PubChem CID: 3085222

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Compound Synonyms diuvaretin, 61463-04-5, 1-[2,4-dihydroxy-3,5-bis[(2-hydroxyphenyl)methyl]-6-methoxyphenyl]-3-phenylpropan-1-one, CHEBI:65802, 1-Propanone, 1-(2,4-dihydroxy-3,5-bis((2-hydroxyphenyl)methyl)-6-metoxyphenyl)-3-phenyl-, 1-(2,4-Dihydroxy-3,5-bis((2-hydroxyphenyl)methyl)-6-metoxyphenyl)-3-phenyl-1-propanone, 1-[2,4-Dihydroxy-3,5-bis[(2-hydroxyphenyl)methyl]-6-methoxyphenyl]-3-phenyl-1-propanone, CHEMBL464771, SCHEMBL15474801, ACon1_001627, DTXSID20210407, LMPK12120472, AKOS040734644, NCGC00180311-01, DB-322732, BRD-K85581658-001-01-5, Q27134293, 1-[2,4-dihydroxy-3,5-bis(2-hydroxybenzyl)-6-methoxyphenyl]-3-phenylpropan-1-one, 1-[2,4-DIHYDROXY-3,5-BIS[(2-HYDROXYPHENYL)METHYL ]-6-METHOXYPHENYL ]-3-PHENYL-1-PROPANONE
Topological Polar Surface Area 107.0
Hydrogen Bond Donor Count 4.0
Heavy Atom Count 36.0
Isotope Atom Count 0.0
Molecular Complexity 678.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 1-[2,4-dihydroxy-3,5-bis[(2-hydroxyphenyl)methyl]-6-methoxyphenyl]-3-phenylpropan-1-one
Prediction Hob 0.0
Xlogp 6.4
Molecular Formula C30H28O6
Prediction Swissadme 0.0
Inchi Key KDEMELRYKGOXDL-UHFFFAOYSA-N
Fcsp3 0.1666666666666666
Logs -4.408
Rotatable Bond Count 9.0
Logd 3.611
Compound Name Diuvaretin
Prediction Hob Swissadme 0.0
Exact Mass 484.189
Formal Charge 0.0
Monoisotopic Mass 484.189
Hydrogen Bond Acceptor Count 6.0
Molecular Weight 484.5
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -6.800730933333334
Inchi InChI=1S/C30H28O6/c1-36-30-23(18-21-12-6-8-14-25(21)32)28(34)22(17-20-11-5-7-13-24(20)31)29(35)27(30)26(33)16-15-19-9-3-2-4-10-19/h2-14,31-32,34-35H,15-18H2,1H3
Smiles COC1=C(C(=C(C(=C1C(=O)CCC2=CC=CC=C2)O)CC3=CC=CC=C3O)O)CC4=CC=CC=C4O
Nring 4.0
Defined Bond Stereocenter Count 0.0