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Dihydrokaempferide

PubChem CID: 21721857

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Compound Synonyms Dihydrokaempferide, 137225-59-3, 9V3SE2M92C, 4H-1-BENZOPYRAN-4-ONE, 2,3-DIHYDRO-3,5,7-TRIHYDROXY-2-(4-METHOXYPHENYL)-, (2R,3R)-, UNII-9V3SE2M92C, 4H-1-Benzopyran-4-one, 2,3-dihydro-3,5,7-trihydroxy-2-(4-methoxyphenyl)-, (2R,3R)-3,5,7-trihydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one, 2,3-DIHYDROKAEMPFERIDE, CHEMBL458480, MEGxp0_000657, ACon1_000776, DTXSID60929743, AKOS040763420, NCGC00169370-01, 3,5,7-TRIHYDROXY-4'-METHOXYFLAVANONE, BRD-K24050686-001-01-1, Q27273271, (2R,3R)-2,3-DIHYDRO-3,5,7-TRIHYDROXY-2-(4-METHOXYPHENYL)-4H-1-BENZOPYRAN-4-ONE, 3570-69-2, 4H-1-BENZOPYRAN-4-ONE, 2,3-DIHYDRO-3,5,7-TRIHYDROXY-2-(4-METHOXYPHENYL)-, (2R-TRANS)-
Topological Polar Surface Area 96.2
Hydrogen Bond Donor Count 3.0
Heavy Atom Count 22.0
Isotope Atom Count 0.0
Molecular Complexity 405.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 2.0
Uniprot Id n.a.
Iupac Name (2R,3R)-3,5,7-trihydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
Prediction Hob 1.0
Xlogp 2.2
Molecular Formula C16H14O6
Prediction Swissadme 0.0
Inchi Key CKDYDMSDCNQHEB-JKSUJKDBSA-N
Fcsp3 0.1875
Logs -3.734
Rotatable Bond Count 2.0
Logd 2.176
Compound Name Dihydrokaempferide
Prediction Hob Swissadme 0.0
Exact Mass 302.079
Formal Charge 0.0
Monoisotopic Mass 302.079
Hydrogen Bond Acceptor Count 6.0
Molecular Weight 302.28
Covalent Unit Count 1.0
Total Atom Stereocenter Count 2.0
Total Bond Stereocenter Count 0.0
Esol -3.012684763636363
Inchi InChI=1S/C16H14O6/c1-21-10-4-2-8(3-5-10)16-15(20)14(19)13-11(18)6-9(17)7-12(13)22-16/h2-7,15-18,20H,1H3/t15-,16+/m0/s1
Smiles COC1=CC=C(C=C1)[C@@H]2[C@H](C(=O)C3=C(C=C(C=C3O2)O)O)O
Nring 3.0
Defined Bond Stereocenter Count 0.0