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(-)-Taxifolin

PubChem CID: 712316

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Compound Synonyms (-)-taxifolin, (-)-Dihydroquercetin, 111003-33-9, Taxifolin, (-)-, 7IV7P3JAR3, (2S,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one, CHEBI:41963, Dihydroquercetin, (-)-(2S,3S)-, (2S,3S)-2-(3,4-DIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-4-ONE, (2S,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychroman-4-one, (2S,3S)-2-(3,4-Dihydroxyphenyl)-2,3-dihydro-3,5,7-trihydroxy-4H-1-benzopyran-4-one, (2S,3S)-TRANS-DIHYDROQUERCETIN, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-2,3-dihydro-3,5,7-trihydroxy-, (2S-trans)-, DH2, (-)Taxifolin, UNII-7IV7P3JAR3, SCHEMBL296323, CHEMBL209462, HY-N0136B, AKOS040756475, FS-7733, DA-59415, CS-0085948, Q27104486
Topological Polar Surface Area 127.0
Hydrogen Bond Donor Count 5.0
Heavy Atom Count 22.0
Isotope Atom Count 0.0
Molecular Complexity 428.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 2.0
Iupac Name (2S,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one
Prediction Hob 0.0
Xlogp 1.5
Molecular Formula C15H12O7
Prediction Swissadme 0.0
Inchi Key CXQWRCVTCMQVQX-CABCVRRESA-N
Fcsp3 0.1333333333333333
Logs -2.662
Rotatable Bond Count 1.0
Logd -0.142
Compound Name (-)-Taxifolin
Prediction Hob Swissadme 0.0
Exact Mass 304.058
Formal Charge 0.0
Monoisotopic Mass 304.058
Hydrogen Bond Acceptor Count 7.0
Molecular Weight 304.25
Covalent Unit Count 1.0
Total Atom Stereocenter Count 2.0
Total Bond Stereocenter Count 0.0
Esol -2.662511163636364
Inchi InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15+/m1/s1
Smiles C1=CC(=C(C=C1[C@H]2[C@@H](C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O
Nring 3.0
Defined Bond Stereocenter Count 0.0