Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR00632
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| Drug Name |
Hesperidin
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| Synonyms |
(2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one; (S)-(-)-Hesperidin; BRN 0075140; C28H34O15; CCRIS 3940; CHEBI:28775; Cirantin; E750O06Y6O; EINECS 208-288-1; Hesper bitabs; Hesperetin 7-rutinoside; Hesperetin-rutinosid; Hesperidin, (2S)-; Hesperidin, (S)-(-)-; Hesperidine; Hesperidoside; Hesperitin-7-rhamnoglucoside; MLS001304066; NSC 44184; UNII-E750O06Y6O; USAF CF-3
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| Drug Type |
Small molecular drug
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| Structure |
|
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| 3D MOL | 2D MOL | |||||
| Formula |
C28H34O15
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| Canonical SMILES |
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O
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| InChI |
InChI=1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1
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| InChIKey |
QUQPHWDTPGMPEX-QJBIFVCTSA-N
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| Pharmaceutical Properties | Molecular Weight | 610.6 | Topological Polar Surface Area | 234 | ||
| Heavy Atom Count | 43 | Rotatable Bond Count | 7 | |||
| Hydrogen Bond Donor Count | 8 | Hydrogen Bond Acceptor Count | 15 | |||
| XLogP |
-1.1
|
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| PubChem CID | ||||||
| PubChem SID |
103579460
,104253567
,104323809
,117494855
,117622849
,11943
,121363256
,124757709
,124800517
,125164513
,134348564
,134976842
,137006648
,141922378
,144203999
,14765138
,152034869
,162037869
,163614430
,16371849
,164788619
,172919069
,175267900
,175608015
,25629964
,26744171
,29204221
,29229096
,3133641
,47349648
,47573634
,47944061
,48169693
,48394207
,49699078
,49975805
,50086731
,50124216
,50437257
,57326346
,57390547
,597195
,7848101
,7980608
,8157671
,85083086
,85756526
,85788047
,87570505
,88836999
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| ChEBI ID |
ChEBI:28775
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| TTD Drug ID | ||||||
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