Natural Product (NP) Details
| General Information of the NP (ID: NP9635) | |||||
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| Name |
Matrine
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| Synonyms |
(+)-Matrine; Matrinium; Matridin-15-one; UNII-N390W430AC; CHEBI:6700; Matrene, (+)-; (7aS,13aR,13bR,13cS)-Dodecahydro-1H,5H,10H-dipyrido[2,1-f:3',2',1'-ij][1,6]naphthyridin-10-one; N390W430AC; (41S,7aS,13aR,13bR)-dodecahydro-1H,5H,10H-dipyrido[2,1-f:3',2',1'-ij][1,6]naphthyridin-10-one; NSC 146051; BRN 0085851; alpha-Matrine; cis-Neomatrine; trans-Neomatrine; Matrine,(S); Matrine ((+)-Matrine); Matridin-15-one (9CI); 5-24-02-00301 (Beilstein Handbook Reference); SCHEMBL177907; CHEMBL204860; DTXSID00274188; HMS3884F13; AMY25701; BCP08193; HY-N0164; ZINC2083329; ANW-43480; BDBM50249581; CM0087; MFCD00210527; NSC146051; s2322; AKOS007930266; CCG-208589; CS-1601; KS-5203; NSC-146051; NCGC00346593-01; AK164135; O723; M2120; N1836; 19M028; C10774; (7aS,13aR,13bS,13cS)dodecahydro-1H,5H,10H-dipyrido[2,1-f:3,2,1-ij][1,6]naphthyridin-10-one
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| Species Origin | Sophora chrysophylla ... | Click to Show/Hide | |||
| Sophora chrysophylla | |||||
| Sophora tetraptera | |||||
| Cuscuta australis | |||||
| Sophora viciifolia | |||||
| Artemisia carruthii | |||||
| 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
-4.788
MDCK Permeability
-4.951
PAMPA
- - -
HIA
- - -
Distribution
VDss
-0.002
PPB
11.2%
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
7.015
T1/2
1.957
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 |
C15H24N2O
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| PubChem CID | |||||
| Canonical SMILES |
C1CC2C3CCCN4C3C(CCC4)CN2C(=O)C1
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| InChI |
1S/C15H24N2O/c18-14-7-1-6-13-12-5-3-9-16-8-2-4-11(15(12)16)10-17(13)14/h11-13,15H,1-10H2/t11-,12+,13+,15-/m0/s1
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| InChIKey |
ZSBXGIUJOOQZMP-JLNYLFASSA-N
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| CAS Number |
CAS 519-02-8
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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 | ||||||
| Cisplatin | Bladder 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 |
Up-regulation | Expression | CASP3 | Molecule Info |
Pathway MAP
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| Up-regulation | Expression | CASP7 | Molecule Info |
Pathway MAP
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| Up-regulation | Expression | CASP9 | Molecule Info |
Pathway MAP
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| Down-regulation | Expression | XIAP | Molecule Info |
Pathway MAP
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| In-vitro Model | Hep-G2 | CVCL_0027 | Hepatocellular carcinoma | Homo sapiens | ||
| In-vivo Model | Six-weeks-old BALB/c nude mice were subcutaneously injected with a 200 L cell suspension containing 5*106 HepG2 cells into the axillary region. | |||||
| Experimental
Result(s) |
The combination of matrine and cisplatin may promote tumor cell apoptosis in liver cancer by activating the caspase apoptosis pathway and suppressing the survivin-associated inhibition of caspase-9. | |||||
| Target and Pathway | ||||
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| Target(s) | Apoptosis regulator Bcl-2 (BCL-2) | Molecule Info | ||
| Bcl2 antagonist of cell death (BAD) | Molecule Info | |||
| Caspase-3 (CASP3) | Molecule Info | |||
