Natural Product (NP) Details
| General Information of the NP (ID: NP3812) | |||||
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| Name |
Oxymatrine
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| Synonyms |
Oxymatrine; Ammothamnine; Matrine N-oxide; 16837-52-8; Oxysophoridine; Matrine oxide; Oxymatrine,(S); Matrine 1beta-oxide; 54809-74-4; CHEBI:2672; (7aS,13aR,13bR,13cS)dodecahydro-1H,5H,10H-dipyrido[2,1-f:3',2',1'-ij][1,6]naphthyridin-10-one 4-oxide; MFCD00210339; SMR000543093; Pachycarpidine; Matrine 1-oxide; MLS001215101; MLS006011817; Oxymatrine (Matrine N-oxide); CHEMBL458337; SCHEMBL13394285; DTXSID40937482; HMS2854E03; AMY25589; ZINC3881804; 7967AB; BBL030371; s2338; STK801916; AKOS004120031; AKOS022168212; AC-6063; CCG-267091; NCGC00346596-01; NCGC00346596-02; SOPHORIDINE N-OXIDE/OXYSOPHORIDINE; AS-15173; O357; AB0016411; C10749; W-2361; Q-100202; Q15425294; (4(1)S,7aS,13aR,13bR)-10-oxohexadecahydrodipyrido[2,1-f:3',2',1'-ij][1,6]naphthyridine 4-oxide; 1212383-03-3; 4-Oxotetradecahydro-1H,10H-4lambda~5~-dipyrido[2,1-f:3',2',1'-ij][1,6]naphthyridin-10-one; rel-(41S,7aS,13aR,13bR)-10-Oxohexadecahydrodipyrido[2,1-f:3',2',1'-ij][1,6]naphthyridine 4-oxide
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| Species Origin | Sophora flavescens ... | Click to Show/Hide | |||
| Sophora flavescens | |||||
| Disease | Colorectal cancer [ICD-11: 2B91] | Investigative | [1] | ||
| Structure |
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Click to Download Mol2D MOL |
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| ADMET Property |
Absporption
Caco-2 Permeability
-5.241
MDCK Permeability
-5
PAMPA
- - -
HIA
- - -
Distribution
VDss
-0.166
PPB
16%
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
6.446
T1/2
1.969
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 |
C15H24N2O2
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| PubChem CID | |||||
| Canonical SMILES |
C1CC2C3CCC[N+]4(C3C(CCC4)CN2C(=O)C1)[O-]
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| InChI |
1S/C15H24N2O2/c18-14-7-1-6-13-12-5-3-9-17(19)8-2-4-11(15(12)17)10-16(13)14/h11-13,15H,1-10H2/t11-,12+,13+,15-,17?/m0/s1
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| InChIKey |
XVPBINOPNYFXID-LHDUFFHYSA-N
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| CAS Number |
CAS 16837-52-8
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| ChEBI ID | |||||
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| SymMap 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 | ||||||
| Sodium ferulate | Influenza | 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 | Expression | IL19 | Molecule Info |
Pathway MAP
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| Down-regulation | Expression | p105 | Molecule Info |
Pathway MAP
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| In-vivo Model | Swiss mice (18-20 g) and Sprague-Dawley rats (120-150 g) were used in this study. | |||||
| Experimental
Result(s) |
SF and OMT combination had an obvious protective effect on PQ-induced lung injury. The anti-infammatory and antioxidant effect might be involved in the mechanism. | |||||
| Target and Pathway | ||||
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| Target(s) | Caspase-3 (CASP3) | Molecule Info | [3] | |
| KEGG Pathway | MAPK signaling pathway | Click to Show/Hide | ||
| 2 | p53 signaling pathway | |||
| 3 | Apoptosis | |||
| 4 | Natural killer cell mediated cytotoxicity | |||
| 5 | TNF signaling pathway | |||
| 6 | Serotonergic synapse | |||
| 7 | Non-alcoholic fatty liver disease (NAFLD) | |||
| 8 | Alzheimer's disease | |||
| 9 | Parkinson's disease | |||
| 10 | Amyotrophic lateral sclerosis (ALS) | |||
| 11 | Huntington's disease | |||
| 12 | Epithelial cell signaling in Helicobacter pylori infection | |||
| 13 | Pertussis | |||
| 14 | Legionellosis | |||
| 15 | Toxoplasmosis | |||
| 16 | Amoebiasis | |||
| 17 | Tuberculosis | |||
| 18 | Hepatitis B | |||
| 19 | Herpes simplex infection | |||
| 20 | Pathways in cancer | |||
| 21 | Viral carcinogenesis | |||
| 22 | Proteoglycans in cancer | |||
| 23 | MicroRNAs in cancer | |||
| 24 | Colorectal cancer | |||
| 25 | Viral myocarditis | |||
| NetPath Pathway | TCR Signaling Pathway | Click to Show/Hide | ||
| 2 | IL2 Signaling Pathway | |||
| 3 | IL4 Signaling Pathway | |||
| Panther Pathway | Apoptosis signaling pathway | Click to Show/Hide | ||
| 2 | FAS signaling pathway | |||
| 3 | Huntington disease | |||
| 4 | CCKR signaling map ST | |||
| Pathway Interaction Database | LPA receptor mediated events | Click to Show/Hide | ||
| 2 | Calcineurin-regulated NFAT-dependent transcription in lymphocytes | |||
| 3 | FAS (CD95) signaling pathway | |||
| 4 | Role of Calcineurin-dependent NFAT signaling in lymphocytes | |||
| 5 | Posttranslational regulation of adherens junction stability and dissassembly | |||
| 6 | p75(NTR)-mediated signaling | |||
| 7 | HIV-1 Nef: Negative effector of Fas and TNF-alpha | |||
| 8 | Caspase Cascade in Apoptosis | |||
| 9 | Syndecan-2-mediated signaling events | |||
| Reactome | SMAC binds to IAPs | Click to Show/Hide | ||
| 2 | SMAC-mediated dissociation of IAP:caspase complexes | |||
| 3 | Apoptotic cleavage of cellular proteins | |||
| 4 | Degradation of the extracellular matrix | |||
| 5 | NADE modulates death signalling | |||
| 6 | Activation of DNA fragmentation factor | |||
| 7 | Caspase-mediated cleavage of cytoskeletal proteins | |||
| WikiPathways | DNA Damage Response | Click to Show/Hide | ||
| 2 | SIDS Susceptibility Pathways | |||
| 3 | Apoptosis Modulation by HSP70 | |||
| 4 | MAPK Signaling Pathway | |||
| 5 | Copper homeostasis | |||
| 6 | FAS pathway and Stress induction of HSP regulation | |||
| 7 | Signaling by Hippo | |||
| 8 | Apoptosis | |||
| 9 | Amyotrophic lateral sclerosis (ALS) | |||
| 10 | Spinal Cord Injury | |||
| 11 | BDNF signaling pathway | |||
| 12 | Integrated Pancreatic Cancer Pathway | |||
| 13 | Oncostatin M Signaling Pathway | |||
| 14 | Parkinsons Disease Pathway | |||
| 15 | Corticotropin-releasing hormone | |||
| 16 | Allograft Rejection | |||
| 17 | AGE/RAGE pathway | |||
| 18 | TNF alpha Signaling Pathway | |||
| 19 | Prostate Cancer | |||
| 20 | Alzheimers Disease | |||
| 21 | TWEAK Signaling Pathway | |||
| 22 | Integrated Breast Cancer Pathway | |||
| 23 | Signalling by NGF | |||
| 24 | Integrated Cancer pathway | |||
| 25 | Regulation of Apoptosis | |||
| 26 | Intrinsic Pathway for Apoptosis | |||
| 27 | Apoptotic execution phase | |||
| 28 | Apoptosis Modulation and Signaling | |||
| 29 | miRNA Regulation of DNA Damage Response | |||
