Natural Product (NP) Details
| General Information of the NP (ID: NP5470) | |||||
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| Name |
Hesperidin
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| Synonyms |
Cirantin; Hesperidoside; Hesper bitabs; Hesperetin-rutinosid; Hesperidine; UNII-E750O06Y6O; CCRIS 3940; (S)-(-)-Hesperidin; EINECS 208-288-1; NSC 44184; BRN 0075140; Hesperidin, (2S)-; Hesperetin 7-rutinoside; MLS001304066; (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; CHEBI:28775; USAF CF-3; Hesperidin, (S)-(-)-; Hesperitin-7-rhamnoglucoside; E750O06Y6O; C28H34O15; HESPERIDINE
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| Species Origin | Citrus sinensis ... | Click to Show/Hide | |||
| Citrus sinensis | |||||
| Citrus sinensis | |||||
| Citrus trifoliata | |||||
| Salvia rosmarinus | |||||
| Citrus aurantium | |||||
| Citrus reticulata | |||||
| Citrus reticulata | |||||
| Citrus medica | |||||
| Clinopodium chinense | |||||
| Disease | Non-thrombocytopenic purpura [ICD-11: 3B60] | Approved | [1] | ||
| Discovery agent [ICD-11: N.A.] | Investigative | [2] | |||
| Structure |
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Click to Download Mol2D MOL |
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| ADMET Property |
Absporption
Caco-2 Permeability
-6.478
MDCK Permeability
-5.253
PAMPA
+++
HIA
-
Distribution
VDss
-0.223
PPB
81.4%
BBB
- - -
Metabolism
CYP1A2 inhibitor
- - -
CYP1A2 substrate
- - -
CYP2C19 inhibitor
- - -
CYP2C19 substrate
- - -
CYP2C9 inhibitor
- - -
CYP2C9 substrate
- - -
CYP2D6 inhibitor
- - -
CYP2D6 substrate
- - -
CYP3A4 inhibitor
- - -
CYP3A4 substrate
- - -
CYP2B6 inhibitor
-
CYP2B6 substrate
- - -
CYP2C8 inhibitor
- - -
HLM Stability
- -
Excretion
CLplasma
1.433
T1/2
4.918
Toxicity
DILI
+++
Rat Oral Acute Toxicity
- - -
FDAMDD
- - -
Respiratory
- - -
Human Hepatotoxicity
+
Ototoxicity
+++
Drug-induced Nephrotoxicity
+++
Drug-induced Neurotoxicity
- - -
Hematotoxicity
- -
Genotoxicity
++
Tips: 1. For the classification endpoints, the prediction probability values are transformed into six symbols: 0-0.1 (- - -), 0.1-0.3 (- -), 0.3-0.5 (-), 0.5-0.7 (+), 0.7-0.9 (++), and 0.9-1.0 (+++).
2. Additionally, the corresponding relationships of the three labels are as follows: excellent; medium; poor.
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| Click to Show/Hide the Molecular Information and External Link(s) of This Natural Product | |||||
| Formula |
C28H34O15
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| PubChem CID | |||||
| 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 |
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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| CAS Number |
CAS 520-26-3
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| ChEBI ID | |||||
| Herb ID | |||||
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| Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally | ||||||
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| α. A List of Drug(s) Whose Efficacy can be Enhanced by This NP | ||||||
| Diethylcarbamazine | Filariasis | Click to Show/Hide the Molecular Data of This Drug | ||||
| Achieving Therapeutic Synergy | Click to Show/Hide | |||||
| Representative Experiment Reporting the Effect of This Combination | [3] | |||||
| Detail(s) |
Combination Info
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| Molecule(s)
Regulation |
Down-regulation | Expression | GGT1 | Molecule Info |
Pathway MAP
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| Down-regulation | Expression | GPT | Molecule Info |
Pathway MAP
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| Down-regulation | Expression | GPT | Molecule Info |
Pathway MAP
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| Down-regulation | Expression | IL19 | Molecule Info |
Pathway MAP
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| Down-regulation | Expression | IL6 | Molecule Info |
Pathway MAP
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| Down-regulation | Expression | TGFB1 | Molecule Info |
Pathway MAP
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| In-vivo Model | Adult male wistar rats (250-275 g) were used in this study. | |||||
| Experimental
Result(s) |
DEC when combined with HDN blunted EtOH-induced necroinflammation and elevation of liver injury parameters in serum. | |||||
| Doxorubicin | Solid tumour/cancer | Click to Show/Hide the Molecular Data of This Drug | ||||
| Augmenting Drug Sensitivity | Click to Show/Hide | |||||
| Representative Experiment Reporting the Effect of This Combination | [4] | |||||
| Detail(s) |
Combination Info
click to show the detail info of this combination
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| Molecule(s)
Regulation |
Up-regulation | Expression | TP53 | Molecule Info |
Pathway MAP
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| In-vivo Model | The 1*106 Ehrlich ascitic tumor cells were transplanted subcutaneously in the left thigh of male albino mice for the experiment. | |||||
| Experimental
Result(s) |
The use of HES as adjuvant therapy with DOX enhanced the therapeutic efficacy and alleviate the resistance to DOX in treatment of solid tumors. | |||||
| Target and Pathway | ||||
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| Target(s) | Calcium channel alpha-1B (CACNA1B) | Molecule Info | [2] | |
| KEGG Pathway | MAPK signaling pathway | Click to Show/Hide | ||
| 2 | Calcium signaling pathway | |||
| 3 | Synaptic vesicle cycle | |||
| 4 | Retrograde endocannabinoid signaling | |||
| 5 | Cholinergic synapse | |||
| 6 | Serotonergic synapse | |||
| 7 | GABAergic synapse | |||
| 8 | Dopaminergic synapse | |||
| 9 | Taste transduction | |||
| 10 | Type II diabetes mellitus | |||
| 11 | Morphine addiction | |||
| 12 | Nicotine addiction | |||
| Panther Pathway | Heterotrimeric G-protein signaling pathway-Gq alpha and Go alpha mediated pathway | Click to Show/Hide | ||
| 2 | Ionotropic glutamate receptor pathway | |||
| 3 | Metabotropic glutamate receptor group III pathway | |||
| 4 | Metabotropic glutamate receptor group II pathway | |||
| 5 | Thyrotropin-releasing hormone receptor signaling pathway | |||
| 6 | Endogenous cannabinoid signaling | |||
| 7 | GABA-B receptor II signaling | |||
| Reactome | Depolarization of the Presynaptic Terminal Triggers the Opening of Calcium Channels | Click to Show/Hide | ||
| WikiPathways | Calcium Regulation in the Cardiac Cell | Click to Show/Hide | ||
| 2 | Synaptic Vesicle Pathway | |||
