Natural Product (NP) Details
| General Information of the NP (ID: NP9772) | |||||
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| Name |
Diosmin
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| Synonyms |
D3908
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| Species Origin | Capsella bursa-pastoris ... | Click to Show/Hide | |||
| Capsella bursa-pastoris | |||||
| Sophora davidii | |||||
| Citrus medica | |||||
| Disease | Haemorrhoids [ICD-11: DB60] | Approved | [1] | ||
| Structure |
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Click to Download Mol2D MOL |
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| ADMET Property |
Absporption
Caco-2 Permeability
-6.293
MDCK Permeability
-5.303
PAMPA
+++
HIA
++
Distribution
VDss
-0.129
PPB
80.2%
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
1.344
T1/2
4.801
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 |
C28H32O15
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| PubChem CID | |||||
| Canonical SMILES |
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O
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| InChI |
1S/C28H32O15/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/h3-8,10,19,21-30,32-37H,9H2,1-2H3/t10-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1
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| InChIKey |
GZSOSUNBTXMUFQ-YFAPSIMESA-N
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| CAS Number |
CAS 520-27-4
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| Herb ID | |||||
| ETMC ID | |||||
| SymMap ID | |||||
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| TTD Drug ID | |||||
| 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 | ||||||
| Dactolisib | Solid tumour/cancer | 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 | [2] | |||||
| Detail(s) |
Combination Info
click to show the detail info of this combination
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| Molecule(s)
Regulation |
Down-regulation | Phosphorylation | AKT1 | Molecule Info |
Pathway MAP
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| Down-regulation | Expression | p105 | Molecule Info |
Pathway MAP
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| In-vitro Model | HCT 116 | CVCL_0291 | Colon carcinoma | Homo sapiens | ||
| CCD-18Co | CVCL_2379 | Healthy | Homo sapiens | |||
| Experimental
Result(s) |
The synergistic anti-proliferative effect of the combination of diosmin and BEZ-235 (dactolisib) on the HCT-116 colorectal cancer cell line occurs through inhibition of the PI3K/Akt/mTOR/NF-kappaB axis. | |||||
