hesperetin
chemical compound
Facts
11 properties- Instance of
- type of chemical entity
- Subclass of
- flavanone
- Has use
- medication[5]
- Canonical SMILES
- COC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)O[3]
- Chemical formula
- C₁₆H₁₄O₆[4]
- Found in taxon
- Ficus pumila, Syzygium jambos, Rutaceae, Brickellia vernicosa, Dalbergia parviflora, Salvia officinalis, tarragon, Artemisia xanthochroa, Crataegus microphylla, Cyclopia intermedia, Cynara cornigera, Eriodictyon californicum, Nepeta tenuifolia, Paulownia tomentosa, Welsh onion, Allium schoenoprasum, Anethum graveolens, Apium graveolens, broccoli, Savoy cabbage, Brassica oleracea var. viridis, Capsicum annuum, Coriandrum sativum, Fragaria, Lactuca sativa, Lepidium sativum, Levisticum officinale, Malus domestica, Melissa officinalis, Nasturtium officinale, basil, Origanum vulgare, parsley, Phaseolus vulgaris, Prunus armeniaca, Prunus avium, Prunus domestica, Ribes nigrum, Ribes rubrum, Rubus idaeus, Vaccinium vitis-idaea, Vitis vinifera, Thymus, Camellia sinensis, Citrus, Rhaponticum carthamoides, Prunus persica, Citrus × paradisi, Apium graveolens var. dulce, Rosmarinus officinalis, Pisum sativum, pomegranate, Cocos nucifera, Citrus reticulata, Malus pumila, Citrus × deliciosa, Brassica oleracea, tomato, Arabidopsis thaliana, Agastache mexicana[6][7][8][9][10][11][12][13][14][15][16][17][18][19]
- Has characteristic
- bitterness
- Isomeric SMILES
- COC1=C(C=C(C=C1)[C@@H]2CC(=O)C3=C(C=C(C=C3O2)O)O)O
- Mass
- +302.079
- Melting point
- +230.0
- Stereoisomer of
- 5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chroman-4-one
🏷️ Also known as
en (2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
en 3',5,7-Trihydroxy-4'-methoxyflavanone
en 5,7, 3'-Trihydroxy-4'-methoxyflavanone
en 5,7,3'-Trihydroxy-4'-methoxyflavanone
en Cyanidanon 4'-Methyl Ether 1626
en Flavanone, 3',5, 7-trihydroxy-4'-methoxy- (VAN)
en Flavanone, 3',5,7-trihydroxy-4'-methoxy- (VAN) (8CI)
en hesperetin
en (-)-Hesperetin
en Hesperetin
en Hesperin
en Hesperitin
en NSC-57654
en Prestwick_908
en (S)-2,3-dihydro-5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one
en (-)-(S)-Hesperetin
en YSO2
es hesperetina
fa هسپرتین
fr hespérétine
🔖 Identifiers · 37
- OpenAlex ID
- C2777252647
- CAS Registry Number
- 520-33-2
- ChEBI ID
- 28230
- ChEMBL ID
- CHEMBL399121
- ChemSpider ID
- 65234
- CosIng number
- 56361
- DSSTOX compound identifier
- DTXCID702319
- DSSTox substance ID
- DTXSID4022319
- DrugBank ID
- DB01094
- DrugCentral ID
- 1362
- EC number
- 208-290-2
- ECHA Substance Infocard ID
- 100.007.538
Show all 37 identifiers +25
- FL number
- 16.097
- Freebase ID
- /m/0bqm7j
- Guide to Pharmacology Ligand ID
- 10953
- Human Metabolome Database ID
- HMDB0005782
- InChIKey
- AIONOLUJZLIMTK-AWEZNQCLSA-N
- KEGG ID
- C01709
- KNApSAcK ID
- C00000968
- LIPID MAPS ID
- LMPK12140003
- MassBank accession ID
- MSBNK-Fiocruz-FIO00130, MSBNK-Fiocruz-FIO00131, MSBNK-Fiocruz-FIO00132, MSBNK-Fiocruz-FIO00133, MSBNK-Fiocruz-FIO00134, MSBNK-Fiocruz-FIO00135, MSBNK-Fiocruz-FIO00136, MSBNK-Fiocruz-FIO00137, MSBNK-Fiocruz-FIO00138, MSBNK-Fiocruz-FIO00139, MSBNK-RIKEN-PR100772, MSBNK-BS-BS003469, MSBNK-BS-BS003470, MSBNK-BS-BS003471, MSBNK-BS-BS003472, MSBNK-BS-BS003473, MSBNK-BS-BS003474
- Microsoft Academic ID (discontinued)
- 2777252647
- NSC number
- 57654
- Nikkaji ID
- J9.235E
- PDB ligand ID
- 6JP
- PDB structure ID
- 5JDC
- Probes And Drugs ID
- PD001966
- PubChem CID
- 72281
- PubChem Substance ID (SID)
- 4847
- Reaxys registry number
- 92705
- RxNorm CUI
- 1314255
- Römpp online ID
- RD-08-01035
- SPLASH
- splash10-0ufr-0906000000-4ff368578ae1225967b0, splash10-0ufr-0900000000-aaca372b112b1730d913, splash10-0udi-0900000000-8857224e3cadbbf71a7d, splash10-0udi-0900000000-4507636d98e7b6ebd382, splash10-0udi-0009000000-2a5462077f9208908972, splash10-0udi-0139000000-0c743a741d25379011aa, splash10-0w2i-0961000000-8406f0210238c955e23e, splash10-0gw0-0920000000-b833f9a80eb4ea8d3b13, splash10-052r-0910000000-943c442894f2e6d36fe3, splash10-0zfr-0925000000-20d9733844b315a5aac1, splash10-0f7c-0092000000-306ebcdcc677f2b2e4bb, splash10-0f79-0092000000-c4efc7d6b5f81ff78f5e, splash10-004i-0910000000-285d8998a97d2fe5eb9e, splash10-004i-0910000000-c97598ccd3609c6fe74a, splash10-0udi-0009000000-e956fb3d45b7e0de6c91, splash10-0udi-0209000000-79c1655a5e8f027e2681, splash10-0udi-0903000000-199ec7e10efccb6c93e9, splash10-0udi-0900000000-00f063c52c0db2d150a7, splash10-0udi-1900000000-5bc29086c3f8de85b6f2, splash10-0udi-0009000000-45da6214f7c4e6a71f0c, splash10-0udi-0009000000-396f1e76c28b9f584f94, splash10-0w2i-0779000000-9af9699c5f4fba986e2b
- SureChEMBL ID
- 39833
- UNII
- Q9Q3D557F1
- UniChem compound ID
- 112892
🔗 Connections
Found in taxon 56
Has characteristic 1
Has use 1
Subclass of 1
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