2-hydroxy-4-methoxyacetophenone, paeonol, peonol
| Name | Paeonol | ||
| PubChem CID | 11092 | ||
| Molecular Weight | 166.17g/mol | ||
| Synonyms |
2-hydroxy-4-methoxyacetophenone, paeonol, peonol |
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| Formula | C₉H₁₀O₃ | ||
| SMILES | CC(=O)C1=C(C=C(C=C1)OC)O | ||
| InChI | 1S/C9H10O3/c1-6(10)8-4-3-7(12-2)5-9(8)11/h3-5,11H,1-2H3 | ||
| InChIKey | UILPJVPSNHJFIK-UHFFFAOYSA-N | ||
| CAS Number | 552-41-0 | ||
| ChEMBL ID | CHEMBL1079227 | ||
| ChEBI ID | CHEBI:69581 | ||
| Herb ID | HBIN038627 | ||
| Drug Bank ID | DB16830 | ||
| KEGG ID | C10712 | ||
| Toxicity | Organism | Test Type | Route(Dose) |
| rat | LD50 | intraperitoneal(165 mg/kg) | |
| mouse | LD50 | intraperitoneal(254 mg/kg) | |
| rat | LD50 | oral(322 mg/kg) | |
| Structure | 
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Download
2D
MOL
3D
MOL
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| Chineses Pinyin | MuDan | ||
| Use Part | Root cortex | ||
| Flavor | Pungent; Bitter | ||
| Meridian Tropism | Heart; Liver; Kidney | ||
| Species |
>Kingdom: Viridiplantae
-->Phylum: Streptophyta
-->Class: Equisetopsida
-->Order: Saxifragales
-->Family: Paeoniaceae
-->Genus: Paeonia
-->Species: Paeonia suffruticosa
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| Pair Name | Paeonol, Cisplatin | |||
| Partner Name | Cisplatin | |||
| Disease Info | [ICD-11: 2C94] | Bladder cancer | Investigative | |
| Biological Phenomena | Induction-->Apoptosis | |||
| Gene Regulation | Up-regulation | Expression | BAX | hsa581 |
| Down-regulation | Expression | BCL2 | hsa596 | |
| Up-regulation | Expression | CASP3 | hsa836 | |
| In Vitro Model | SEG-1 | Lung large cell carcinoma | Homo sapiens (Human) | CVCL_8113 |
| Eca-109 | Esophageal squamous cell carcinoma | Homo sapiens (Human) | CVCL_6898 | |
| Result | Paeonol, in combination with cisplatin, had a significantly synergistic growth-inhibitory effect on oesophageal cell line, which may be related to apoptosis induction | |||
| Pair Name | Paeonol, Paclitaxel | |||
| Partner Name | Paclitaxel | |||
| Disease Info | [ICD-11: 2C60] | Breast cancer | Investigative | |
| Gene Regulation | Down-regulation | Expression | BCRP | KEGG ID N.A. |
| Down-regulation | Expression | MRP1 | KEGG ID N.A. | |
| Down-regulation | Expression | P-gp | KEGG ID N.A. | |
| Down-regulation | Expression | transgelin 2 | KEGG ID N.A. | |
| In Vitro Model | MCF-7/PTX | Invasive breast carcinoma of no special type | Homo sapiens (Human) | CVCL_C5RS |
| Result | These results not only provide insight into the potential application of paeonol to the reversal of paclitaxel resistance, thus facilitating the sensitivity of breast cancer chemotherapy, but also highlight a potential role of transgelin 2 in the development of paclitaxel resistance in breast cancer. | |||
| Pair Name | Paeonol, Epirubicin | |||
| Partner Name | Epirubicin | |||
| Disease Info | [ICD-11: 2C60] | Breast cancer | Investigative | |
| Gene Regulation | Up-regulation | Expression | BAX | hsa581 |
| Up-regulation | Cleavage | CASP3 | hsa836 | |
| Down-regulation | Expression | MAPK1 | hsa5594 | |
| Down-regulation | Expression | MAPK14 | hsa1432 | |
| Down-regulation | Expression | MAPK8 | hsa5599 | |
| Down-regulation | Expression | NFKB1 | hsa4790 | |
| Up-regulation | Cleavage | PARP1 | hsa142 | |
| In Vitro Model | MCF-7 | Invasive breast carcinoma of no special type | Homo sapiens (Human) | CVCL_0031 |
| 4T1 | Malignant neoplasms of the mouse mammary gland | Mus musculus (Mouse) | CVCL_0125 | |
| Result | These findings suggest that combination of Paeonol and Epirubicin is potentially applicable for breast cancer treatment. | |||
| Pair Name | Paeonol, Methotrexate | |||
| Partner Name | Methotrexate | |||
| Disease Info | [ICD-11: 2B90] | Colon cancer | Investigative | |
| Biological Phenomena | Induction-->Apoptosis | |||
| Gene Regulation | Up-regulation | Expression | ABCB1 | hsa5243 |
| Down-regulation | Expression | CASP3 | hsa836 | |
| Down-regulation | Expression | IL1B | hsa3553 | |
| Down-regulation | Expression | NFKB1 | hsa4790 | |
| Down-regulation | Expression | TLR4 | hsa7099 | |
| In Vitro Model | HCT 116 | Colon carcinoma | Homo sapiens (Human) | CVCL_0291 |
| In Vivo Model | Male Wistar rats weighing 180–220 g were used in study. | |||
| Result | Paeonol protects against MTX-induced nephrotoxicity through antioxidant, anti-inflammatory, and antiapoptotic mechanisms and might potentiate MTX chemotherapeutic efficacy. | |||
| No. | Title | Href |
|---|---|---|
| 1 | Enhanced antitumor activity and attenuated cardiotoxicity of Epirubicin combined with Paeonol against breast cancer. Tumour Biol. 2016 Sep;37(9):12301-12313. doi: 10.1007/s13277-016-5088-9. | Click |
| 2 | Paeonol Protects Against Methotrexate-Induced Nephrotoxicity via Upregulation of P-gp Expression and Inhibition of TLR4/NF-κB Pathway. Front Pharmacol. 2022 Feb 4;13:774387. doi: 10.3389/fphar.2022.774387. | Click |
| 3 | Synergistic effect of paeonol and cisplatin on oesophageal cancer cell lines. Dig Liver Dis. 2008 Jul;40(7):531-9. doi: 10.1016/j.dld.2008.01.012. | Click |
| 4 | Paeonol reverses paclitaxel resistance in human breast cancer cells by regulating the expression of transgelin 2. Phytomedicine. 2014;21(7):984-991. doi:10.1016/j.phymed.2014.02.012 | Click |
