Natural Product (NP) Details
| General Information of the NP (ID: NP0239) | |||||
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| Name |
Schisandrin A
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| Synonyms |
Schizandrin A; schisandrin A; 61281-38-7; Deoxyschizandrin; Deoxyschisandrin; (-)-Deoxyschizandrin; UNII-74XQL5DO3S; 74XQL5DO3S; 69176-53-0; Dimethylgomisin J; Wuweizisu A; (6R,7S)-1,2,3,10,11,12-Hexamethoxy-6,7-dimethyl-5,6,7,8-tetrahydrodibenzo[a,c][8]annulene; hexamethoxy(dimethyl)[?]; Di-O-methylgomisin J; (-)-Deoxyschisandrin; (-)-Dimethylgomisin J; (+)-Deoxyschizandrin; MLS000728483; CHEMBL253908; GTPL2769; SCHEMBL2404905; DTXSID10219222; HMS2227F15; Schisandrin A, analytical standard; HY-N0693; Schisandrin A, >=98% (HPLC); BDBM50485611; MFCD09026934; s3822; ZINC18269545; AKOS015960456; CCG-268845; CS-3658; AC-11192; BS-17208; Dibenzo(a,c)cyclooctene, 5,6,7,8-tetrahydro-1,2,3,10,11,12-hexamethoxy-6,7-dimethyl-, (6R,7S,12aS)-; Dibenzo(a,c)cyclooctene, 5,6,7,8-tetrahydro-1,2,3,10,11,12-hexamethoxy-6,7-dimethyl-, stereoisomer; SMR000445690; NCGC00385070-01!; V0367; A14531; SR-01000777559; SR-01000777559-3; Q15410931; Dibenzo(a,c)cyclooctene, 5,6,7,8-tetrahydro-6,7-dimethyl-1,2,3,10,11,12-hexamethoxy-; (9S,10R)-3,4,5,14,15,16-hexamethoxy-9,10-dimethyltricyclo[10.4.0.0^{2,7}]hexadeca-1(16),2,4,6,12,14-hexaene
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| Species Origin | Schisandra chinensis ... | Click to Show/Hide | |||
| Schisandra chinensis | |||||
| Disease | Breast cancer [ICD-11: 2C60] | Investigative | [1] | ||
| Structure |
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Click to Download Mol2D MOL |
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| Click to Show/Hide the Molecular Information and External Link(s) of This Natural Product | |||||
| Formula |
C24H32O6
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| PubChem CID | |||||
| Canonical SMILES |
CC1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3CC1C)OC)OC)OC)OC)OC)OC
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| InChI |
1S/C24H32O6/c1-13-9-15-11-17(25-3)21(27-5)23(29-7)19(15)20-16(10-14(13)2)12-18(26-4)22(28-6)24(20)30-8/h11-14H,9-10H2,1-8H3/t13-,14+
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| InChIKey |
JEJFTTRHGBKKEI-OKILXGFUSA-N
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| CAS Number |
CAS 61281-38-7
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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 Adverse Effect can be Decreased by This NP | ||||||
| Deoxynivalenol | Lung cancer | Click to Show/Hide the Molecular Data of This Drug | ||||
| Decreasing Adverse Drug Reaction | Click to Show/Hide | |||||
| Representative Experiment Reporting the Effect of This Combination | [2] | |||||
| Detail(s) |
Combination Info
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| In-vitro Model | HT-29 | CVCL_0320 | Colon adenocarcinoma | Homo sapiens | ||
| Experimental
Result(s) |
Sch A decreased the DON-induced cyclooxygenase-2 expression and prostaglandin E2 production and pro-inflammatory cytokine interleukin 8 expression and secretion. | |||||
| β. A List of Drug(s) Whose Resistance can be Reversed by This NP | ||||||
| Doxorubicin | Solid tumour/cancer | Click to Show/Hide the Molecular Data of This Drug | ||||
| Reversing Drug Resistance | 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 | ABCB1 | Molecule Info |
Pathway MAP
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| Down-regulation | Phosphorylation | RELA | Molecule Info |
Pathway MAP
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| Down-regulation | Phosphorylation | STAT3 | Molecule Info |
Pathway MAP
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| In-vitro Model | MCF-7 | CVCL_0031 | Invasive breast carcinoma | Homo sapiens | ||
| Experimental
Result(s) |
Sch A specifically reverses P-gp-mediated DOX resistance in MCF-7/DOX cells by blocking P-gp, NF-KappaB, and Stat3 signaling. Inhibition of P65 and Stat3 shows potent anti-MDR effect on MCF-7/DOX cells. | |||||
| Target and Pathway | ||||
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| Target(s) | Pregnane X receptor (NR1I2) | Molecule Info | [4] | |
| WikiPathways | Nuclear Receptors in Lipid Metabolism and Toxicity | Click to Show/Hide | ||
| 2 | Nuclear Receptors Meta-Pathway | |||
| 3 | Pregnane X Receptor pathway | |||
| 4 | Drug Induction of Bile Acid Pathway | |||
| 5 | Nuclear Receptors | |||
