Phloretin
PubChem CID: 4788
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| Compound Synonyms | phloretin, 60-82-2, Dihydronaringenin, 3-(4-Hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one, Phloretol, 3-(4-Hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-1-propanone, 1-Propanone, 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-, NSC 407292, MFCD00002288, CCRIS 7459, beta-(p-Hydroxyphenyl)phloropropiophenone, EINECS 200-488-7, 2',4',6'-Trihydroxy-3-(p-hydroxyphenyl)propiophenone, S5J5OE47MK, 2',4',6'-Trihydroxy-3-(4-Hydroxyphenyl)propiophenone, DTXSID6022393, CHEBI:17276, beta-(p-Hydroxyphenyl)-2,4,6-trihydroxypropiophenone, PHLORETIN [MI], Propiophenone, 2',4',6'-trihydroxy-3-(p-hydroxyphenyl)-, NSC407292, NSC-407292, 2',4,4',6'-Tetrahydroxydihydrochalcone, 4,2',4',6'-Tetrahydroxydihydrochalcone, beta-(4-Hydroxyphenyl)-2,4,6-trihydroxypropiophenone, CHEMBL45068, 2',4',6'-Trihydroxy-3-(4-hydroxyphenyl)-propiophenone, 2',4,4',6'-Tetrahydroxy-Dihydrochalcone, DTXCID702393, FEMA NO. 4390, .beta.-(p-Hydroxyphenyl)phloropropiophenone, NSC 407292, RJC 02792, 3-(4-Hydroxy-phenyl)-1-(2,4,6-trihydroxy-phenyl)-propan-1-one, 3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)-PROPAN-1-ONE [FHFI], SMR000326783, SR-01000076081, UNII-S5J5OE47MK, 2uxi, G50, Phloretin (Standard), Spectrum_001295, Phloretin, >=99%, SpecPlus_000333, Naringenin dihydrochalcone, PHLORETIN [INCI], Spectrum2_000681, Spectrum3_001036, Spectrum4_001172, Spectrum5_001698, Lopac-P-7912, cid_4788, Lopac0_001012, Oprea1_824722, REGID_for_CID_4788, SCHEMBL38131, BSPBio_002851, KBioGR_001803, KBioSS_001775, SPECTRUM300554, MLS000728507, MLS000859922, MLS006012024, BIDD:ER0174, DivK1c_006429, SPBio_000801, GTPL4285, BCBcMAP01_000040, BDBM23446, HY-N0142R, KBio1_001373, KBio2_001775, KBio2_004343, KBio2_006911, KBio3_002071, Phloretin - CAS 60-82-2, BP_35, HMS2224N17, HMS3263K05, HMS3332J03, HMS3656I07, BCP28296, HY-N0142, TNP00255, Tox21_202854, Tox21_501012, CCG-38573, HB0500, LMPK12120525, s2342, STL372996, AKOS015856338, AC-7995, CS-1477, DB07810, FP06961, LP01012, SDCCGMLS-0066637.P001, SDCCGSBI-0050985.P003, CAS-60-82-2, Phloretin, analytical reference material, SMP1_000238, NCGC00015840-01, NCGC00015840-02, NCGC00015840-03, NCGC00015840-04, NCGC00015840-05, NCGC00015840-06, NCGC00015840-07, NCGC00015840-08, NCGC00015840-09, NCGC00015840-18, NCGC00094304-01, NCGC00094304-02, NCGC00094304-03, NCGC00094304-04, NCGC00260400-01, NCGC00261697-01, AS-14100, SY017103, DB-053714, EU-0101012, NS00006825, P1966, SW219308-1, C00774, P 7912, 2',6'-Trihydroxy-3-(p-hydroxyphenyl)propiophenone, Q2268463, SR-01000076081-1, SR-01000076081-7, SR-01000076081-8, .beta.-(p-Hydroxyphenyl)-2,6-trihydroxypropiophenone, BRD-K15563106-001-02-4, BRD-K15563106-001-10-7, BRD-K15563106-001-18-0, Propiophenone,4',6'-trihydroxy-3-(p-hydroxyphenyl)-, .beta.-(p-Hydroxyphenyl)-2,4,6-trihydroxypropiophenone, 2',4',6'-Trihydroxy-3-(4-hydroxyphenyl)propiophenone, 1-(2,4,6-trihydroxyphenyl)-3-(4-hydroxyphenyl)-1-propanone, Propiophenone, 2',4',6'-trihydroxy-3-(p-hydroxyphenyl)-(8CI), 3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)-PROPAN-1-ONE, 200-488-7, 4,2',4',6'-Tetrahydroxydihydrochalcone, 2,4,6-Trihydroxy-3-(4-hydroxyphenyl)propiophenone, 3-(4-Hydroxyphenyl)-1-(2,4,6-trihydroxyphen yl)-1-propanone, ?-(4-Hydroxyphenyl)-2,4,6-trihydroxypropiophenone, InChI=1/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 98.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | CC(CCC1CCCCC1)C1CCCCC1 |
| Np Classifier Class | Chalcones |
| Deep Smiles | Occcccc6))CCC=O)ccO)cccc6O)))O |
| Heavy Atom Count | 20.0 |
| Classyfire Class | Linear 1,3-diarylpropanoids |
| Description | Phloretin is a dihydrochalcone, a type of natural phenols. It is the phloroglucin ester of paraoxyhydratropic acid. It can be found in apple tree leaves. Phloretin is a biomarker for the consumption of apples. |
| Scaffold Graph Node Level | OC(CCC1CCCCC1)C1CCCCC1 |
| Classyfire Subclass | Chalcones and dihydrochalcones |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 312.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P22309, P0DMM9, Q12791, P13866, n.a., Q9YQ12, P11388, Q9HAS3, P00533, C3TDZ2, P02545, Q03164, P10828, Q99714, P46063, B2RXH2, P16473, Q9NUW8, P10636, P33261, P00352, Q01453, Q9F4F7, Q194T2, P28482, P15917, P51450, P15428, Q13315, P04637, P10253, P06746, P10635, P08684, P11712, P04062, Q92830, Q99549, O89049, Q96KQ7, O15296, Q96QE3, P05177, P49798, P39748, Q12809, Q9UBT6, P84022, P08659, O94782, P53987, P33527, Q66HS9, O15427, O94925, O75496, P11064, O42275, P81908, Q9HCT0, Q9NPD5, Q9Y6L6, P03372, P11166, P15289, O43826, Q04206, O42713, P31639, P00591, P05364, P00766, P0DTD1, P02766, P10275, Q16236, P04792 |
| Iupac Name | 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one |
| Prediction Hob | 1.0 |
| Class | Linear 1,3-diarylpropanoids |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Target Id | NPT640, NPT2875, NPT285, NPT483, NPT46, NPT149, NPT47, NPT48, NPT1038, NPT210, NPT50, NPT51, NPT213, NPT94, NPT796, NPT282, NPT151, NPT524, NPT539, NPT60, NPT59, NPT110, NPT109, NPT212, NPT208, NPT874, NPT108, NPT942, NPT5403, NPT641 |
| Xlogp | 2.6 |
| Superclass | Phenylpropanoids and polyketides |
| Subclass | Chalcones and dihydrochalcones |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H14O5 |
| Scaffold Graph Node Bond Level | O=C(CCc1ccccc1)c1ccccc1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VGEREEWJJVICBM-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.1333333333333333 |
| Logs | -3.378 |
| Rotatable Bond Count | 4.0 |
| State | Solid |
| Logd | 2.789 |
| Synonyms | 2',4,4',6'-Tetrahydroxydihydrochalcone, 3-(4-Hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-1-propanone, Asebogenol, Dihydronaringenin, Phloretin, Phloretol, 2,6-Dihydroxy-4-methoxyacetophenone, 4-O-Methylphloracetophenone, phloretin |
| Esol Class | Soluble |
| Functional Groups | cC(C)=O, cO |
| Compound Name | Phloretin |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 274.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 274.084 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 274.27 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -3.3773864 |
| Inchi | InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2 |
| Smiles | C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O)O)O)O |
| Nring | 2.0 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | 2'-Hydroxy-dihydrochalcones |
| Np Classifier Superclass | Flavonoids |
- 1. Outgoing r'ship
FOUND_INto/from Alkanna Cappadocica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Amorphophallus Konjac (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Aniba Santalodora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Artemisia Dentata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Astragalus Circassicus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Atalantia Racemosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Beilschmiedia Madang (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Bethencourtia Palmensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Boesenbergia Pandurata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Boswellia Ovalifoliolata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Buddleja Cordata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Campanula Choziatowskyi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Centaurea Scoparia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 14. Outgoing r'ship
FOUND_INto/from Centaurea Sonchifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 15. Outgoing r'ship
FOUND_INto/from Citrus Limon (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 16. Outgoing r'ship
FOUND_INto/from Colchicum Filifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 17. Outgoing r'ship
FOUND_INto/from Crambe Tatarica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 18. Outgoing r'ship
FOUND_INto/from Cynoglossum Macrostylum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 19. Outgoing r'ship
FOUND_INto/from Dialium Excelsum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 20. Outgoing r'ship
FOUND_INto/from Diospyros Eriantha (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 21. Outgoing r'ship
FOUND_INto/from Drymaria Cordata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 22. Outgoing r'ship
FOUND_INto/from Erythrina Americana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 23. Outgoing r'ship
FOUND_INto/from Erythrina Hypaphorus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 24. Outgoing r'ship
FOUND_INto/from Euphorbia Hylonoma (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 25. Outgoing r'ship
FOUND_INto/from Fritillaria Ningguoensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 26. Outgoing r'ship
FOUND_INto/from Hardenbergia Violacea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 27. Outgoing r'ship
FOUND_INto/from Heliotropium Scabrum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 28. Outgoing r'ship
FOUND_INto/from Helleborus Macranthus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 29. Outgoing r'ship
FOUND_INto/from Hoffmannia Strigillosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 30. Outgoing r'ship
FOUND_INto/from Humulus Lupulus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 31. Outgoing r'ship
FOUND_INto/from Iris Kashmiriana (Plant) Rel Props:Source_db:npass_chem_all - 32. Outgoing r'ship
FOUND_INto/from Juniperus Rigida (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 33. Outgoing r'ship
FOUND_INto/from Kalmia Latifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 34. Outgoing r'ship
FOUND_INto/from Lawsonia Inermis (Plant) Rel Props:Reference:ISBN:9770972795006 - 35. Outgoing r'ship
FOUND_INto/from Lemaireocereus Griseus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 36. Outgoing r'ship
FOUND_INto/from Lepechinia Urbanii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 37. Outgoing r'ship
FOUND_INto/from Lonchocarpus Chiricanus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 38. Outgoing r'ship
FOUND_INto/from Maclura Cochinchinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 39. Outgoing r'ship
FOUND_INto/from Malus Domestica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 40. Outgoing r'ship
FOUND_INto/from Malus Pumila (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 41. Outgoing r'ship
FOUND_INto/from Matricaria Sabulosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 42. Outgoing r'ship
FOUND_INto/from Mentzelia Decapetala (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 43. Outgoing r'ship
FOUND_INto/from Millettia Erythrocalyx (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 44. Outgoing r'ship
FOUND_INto/from Mimosa Pigra (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 45. Outgoing r'ship
FOUND_INto/from Mucuna Holtonii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 46. Outgoing r'ship
FOUND_INto/from Ononis Vaginalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 47. Outgoing r'ship
FOUND_INto/from Petunia Axillaris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 48. Outgoing r'ship
FOUND_INto/from Pieris Japonica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 49. Outgoing r'ship
FOUND_INto/from Podocarpus Dacrydioides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 50. Outgoing r'ship
FOUND_INto/from Pteris Semipinnata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 51. Outgoing r'ship
FOUND_INto/from Pterocaulon Serrulatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 52. Outgoing r'ship
FOUND_INto/from Pulsatilla Chinensis (Plant) Rel Props:Source_db:npass_chem_all - 53. Outgoing r'ship
FOUND_INto/from Punica Granatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 54. Outgoing r'ship
FOUND_INto/from Quercus Marilandica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 55. Outgoing r'ship
FOUND_INto/from Rapanea Lancifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 56. Outgoing r'ship
FOUND_INto/from Rubia Akane (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 57. Outgoing r'ship
FOUND_INto/from Salix Rosmarinifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 58. Outgoing r'ship
FOUND_INto/from Salvia Hispanica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 59. Outgoing r'ship
FOUND_INto/from Salvia Lavanduloides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 60. Outgoing r'ship
FOUND_INto/from Salvia Patens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 61. Outgoing r'ship
FOUND_INto/from Salvia Virgata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 62. Outgoing r'ship
FOUND_INto/from Scorzonera Pseudodivaricata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 63. Outgoing r'ship
FOUND_INto/from Senecio Platyphylloides (Plant) Rel Props:Source_db:npass_chem_all - 64. Outgoing r'ship
FOUND_INto/from Spatholobus Suberectus (Plant) Rel Props:Source_db:npass_chem_all - 65. Outgoing r'ship
FOUND_INto/from Syncarpia Hillii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all