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Phlorizin

PubChem CID: 6072

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Compound Synonyms Phlorizin, Phloridzin, 60-81-1, Phlorhizin, Phlorizoside, Floridzin, Phlorrhizin, Phloretin 2'-glucoside, Phloridzinum, Phloridzosid, Phlorrhizen, Phlorizine, Phloretin-2'-O-beta-glucoside, AI3-19835, NSC 2833, EINECS 200-487-1, UNII-CU9S17279X, CHEBI:8113, CU9S17279X, NSC-2833, Phloridzin dihydrate, phloretin 2'-O-glucoside, Phloretin-2'-beta-glucoside, CHEMBL245067, 1-(2,4-dihydroxy-6-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)phenyl)-3-(4-hydroxyphenyl)propan-1-one, DTXSID3075339, Phloretin-2'-O-.beta.-glucoside, 2'-(beta-D-Glucopyranosyloxy)-4',6'-dihydroxy-3-(4-hydroxyphenyl)propiophenone, 1-Propanone, 1-(2-(beta-D-glucopyranosyloxy)-4,6-dihydroxyphenyl)-3-(4-hydroxyphenyl)-, 1-(2,4-dihydroxy-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-(4-hydroxyphenyl)propan-1-one, 1-[2-(beta-D-Glucopyranosyloxy)-4,6-dihydroxyphenyl]-3-(4-hydroxyphenyl)-1-propanone, Phlorizin (dihydrate), 1-Propanone,1-[2-(b-D-glucopyranosyloxy)-4,6-dihydroxyphenyl]-3-(4-hydroxyphenyl)-, 1-[2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(4-hydroxyphenyl)propan-1-one, 1-Propanone, 1-[2-(beta-D-glucopyranosyloxy)-4,6-dihydroxyphenyl]-3-(4-hydroxyphenyl)-, 2'-(.beta.-D-glucopyranosyloxy)-4',6'-dihydroxy-3-(4-hydroxyphenyl)propiophenone, 1-[2-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,6-bis(oxidanyl)phenyl]-3-(4-hydroxyphenyl)propan-1-one, Phloretin-2'-O-glucoside, SR-01000781913, Lopin, 1-Propanone, 1-[2-(.beta.-D-glucopyranosyloxy)-4,6-dihydroxyphenyl]-3-(4-hydroxyphenyl)-, Phloridzin Phenolic, O-glucoside, 1, Phloridzin1535, 1-PROPANONE, 1-(2-(.BETA.-D-GLUCOPYRANOSYLOXY)-4,6-DIHYDROXYPHENYL)-3-(4-HYDROXYPHENYL)-, Phlorizin (Standard), Phlorizin (Phloridzin), Spectrum_001291, PHLORIDZIN [MI], SpecPlus_000325, Spectrum2_000701, Spectrum3_001227, Spectrum4_001651, Spectrum5_000521, PHLORIDZINUM [HPUS], PHLORIDZIN [WHO-DD], SCHEMBL17290, BSPBio_002674, KBioGR_002141, KBioSS_001771, SPECTRUM300547, JMC511145 Compound 1, DivK1c_006421, SPBio_000881, GTPL4757, DTXCID1042738, BDBM20875, HY-N0143R, KBio1_001365, KBio2_001771, KBio2_004339, KBio2_006907, KBio3_002174, GLXC-10564, HMS2090P10, Phloretin 2'-ss-D-glucopyranoside, HY-N0143, CCG-38341, s2343, 4,6-dihydroxy-2-(beta-D-glucosido)-beta-(p-hydroxyphenyl)propiophenone, AKOS015920054, AC-7976, CS-2013, MP08132, SDCCGMLS-0066626.P001, NCGC00142423-01, NCGC00142423-02, NCGC00142423-06, 1-[2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]-3-(4-hydroxyphenyl)propan-1-one, 1-{6-[(2S,4S,5S,3R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)(2H-3,4,5,6-tetrahydr opyran-2-yloxy)]-2,4-dihydroxyphenyl}-3-(4-hydroxyphenyl)propan-1-one, 1ST40016, AS-15724, NS00002475, P0248, C01604, Q413105, SR-01000781913-2, SR-01000781913-4, SR-01000781913-5, BRD-K73756878-001-02-9, 1-[2-(.beta.-D-Glucopyranosyloxy)-4,6-dihydroxyphenyl]-3-(4-hydroxyphenyl)-1-propanone, 1-[2-(ss-D-Glucopyranosyloxy)-4,6-dihydroxyphenyl]-3-(4-hydroxyphenyl)-1-propanone, 3,5-dihydroxy-2-[3-(4-hydroxyphenyl)propanoyl]phenyl beta-D-glucopyranoside, 1-(2,4-dihydroxy-6-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)phenyl)-3-(4-hydroxyphenyl)propan-1-one, 1-[2-(?-D-Glucopyranosyloxy)-4,6-dihydroxyphenyl]-3-(4-hydroxyphenyl)-1-propanone, Floridzin, Phloretin 2'-?-D-glucopyranoside, 112318-65-7, 200-487-1, LN9
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 177.0
Hydrogen Bond Donor Count 7.0
Pfizer 3 75 Rule True
Scaffold Graph Level CC(CCC1CCCCC1)C1CCCCC1CC1CCCCC1
Np Classifier Class Chalcones
Deep Smiles OC[C@H]O[C@@H]OcccO)ccc6C=O)CCcccccc6))O)))))))))O)))))))[C@@H][C@H][C@@H]6O))O))O
Heavy Atom Count 31.0
Classyfire Class Flavonoids
Description Isolated from apple leaves and bark Phlorizin is a toxic glycoside made by some plants. It belongs to the group of flavonoids. It is a competitive inhibitor of renal glucose transport. Phlorizin is found in many foods, some of which are watermelon, kelp, common wheat, and black radish.
Scaffold Graph Node Level OC(CCC1CCCCC1)C1CCCCC1OC1CCCCO1
Classyfire Subclass Flavonoid glycosides
Isotope Atom Count 0.0
Molecular Complexity 581.0
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 5.0
Uniprot Id P13866, P31639, Q9HAS3, O00337, O43868, Q99808, n.a., P15428, Q92830, Q9NY91, P53792, P53790, O42275, P81908, Q9NPD5, Q9Y6L6, P34913, O42713, P00591, P0DTD1
Iupac Name 1-[2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(4-hydroxyphenyl)propan-1-one
Prediction Hob 0.0
Class Flavonoids
Veber Rule False
Classyfire Superclass Phenylpropanoids and polyketides
Target Id NPT640, NPT641, NPT2875, NPT2877, NPT2876, NPT151, NPT5493, NPT862
Xlogp 1.2
Superclass Phenylpropanoids and polyketides
Subclass Flavonoid glycosides
Gsk 4 400 Rule False
Molecular Formula C21H24O10
Scaffold Graph Node Bond Level O=C(CCc1ccccc1)c1ccccc1OC1CCCCO1
Prediction Swissadme 0.0
Inchi Key IOUVKUPGCMBWBT-QNDFHXLGSA-N
Silicos It Class Soluble
Fcsp3 0.3809523809523809
Logs -3.067
Rotatable Bond Count 7.0
State Solid
Logd 0.417
Synonyms Floridzin, Phloretin 2'-glucoside, Phloretin-2'-beta-glucoside, Phloretin-2'-O-beta-glucoside, Phlorhizin, Phlorhizin, phlorizin, Phloridzin, Phloridzinum, Phloridzosid, Phlorizin, Phlorizine, Phlorizoside, Phlorrhizen, Phlorrhizin, phlorhizin, phloridizin, phloridzin, phlorizin
Esol Class Soluble
Functional Groups CO, cC(C)=O, cO, cO[C@@H](C)OC
Compound Name Phlorizin
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 436.137
Formal Charge 0.0
Monoisotopic Mass 436.137
Hydrogen Bond Acceptor Count 10.0
Molecular Weight 436.4
Gi Absorption False
Covalent Unit Count 1.0
Total Atom Stereocenter Count 5.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aromatic heteromonocyclic compounds
Lipinski Rule Of 5 True
Esol -2.7104122129032264
Inchi InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2/t16-,18-,19+,20-,21-/m1/s1
Smiles C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O
Nring 3.0
Np Classifier Biosynthetic Pathway Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count 0.0
Egan Rule False
Taxonomy Direct Parent Flavonoid O-glycosides
Np Classifier Superclass Flavonoids

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