Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR00557
|
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| Drug Name |
Hesperetin
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| Synonyms |
(-)-hesperetin; (2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-4H-chromen-4-one; (2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one; (S)-2,3-Dihydro-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-benzopyrone; (S)-2,3-dihydro-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one; 3',5,7-Trihydroxy-4'-methoxyflavanone; 3',5,7-Trihydroxy-4-methoxyflavanone; 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-, (S)-(9CI); 5,7,3'-Trihydroxy-4'-methoxyflavanone; Cyanidanon 4'-methyl ether 1626; Flavanone, 3',5,7-trihydroxy-4'-methoxy-(VAN); Flavanone, 3',5,7-trihydroxy-4'-methoxy-(VAN) (8CI); Hesperin; Hesperitin; TNP00238; YSO2
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| Drug Type |
Small molecular drug
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| Indication | High cholesterol level [ICD11:5C80.00] | Approved | [1] | |||
| Therapeutic Class |
Anticholesteremic Agents
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| Structure |
|
 |
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| 3D MOL | 2D MOL | |||||
| Formula |
C16H14O6
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| Canonical SMILES |
COC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)O
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| InChI |
InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1
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| InChIKey |
AIONOLUJZLIMTK-AWEZNQCLSA-N
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| CAS Number |
CAS 520-33-2
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| Pharmaceutical Properties | Molecular Weight | 302.28 | Topological Polar Surface Area | 96.2 | ||
| Heavy Atom Count | 22 | Rotatable Bond Count | 2 | |||
| Hydrogen Bond Donor Count | 3 | Hydrogen Bond Acceptor Count | 6 | |||
| XLogP |
2.4
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| PubChem CID | ||||||
| PubChem SID |
10321847
,11112384
,11112385
,11336214
,11361453
,11363075
,11365637
,11368199
,11372127
,11375448
,11376361
,11462425
,11466152
,11467272
,11485481
,11485843
,11489609
,11490919
,11493749
,11493995
,11537620
,16889621
,24895619
,26613332
,26680108
,26744164
,26754195
,26754196
,29204220
,43128472
,46507998
,47365297
,47365298
,47440361
,47515405
,47515406
,47885508
,47959861
,48035231
,48110539
,48259342
,48421825
,4847
,49698360
,50069543
,50091682
,597194
,8149172
,8195111
,877412
|
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| ChEBI ID |
ChEBI:28230
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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | BCRP | Transporter Info | Breast cancer resistance protein | Substrate | [2] | |
| References | ||||||
| 1 | Drug information of Hesperetin, 2008. eduDrugs. | |||||
| 2 | Interaction of the breast cancer resistance protein with plant polyphenols. Biochem Biophys Res Commun. 2004 Apr 23;317(1):269-75. | |||||
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