cucurbitacin I, elatericin B, JSI 124, JSI124
| Name | Cucurbitacin I | ||
| PubChem CID | 5281321 | ||
| Molecular Weight | 514.6g/mol | ||
| Synonyms |
cucurbitacin I, elatericin B, JSI 124, JSI124 |
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| Formula | C₃₀H₄₂O₇ | ||
| SMILES | CC1(C2=CCC3C4(CC(C(C4(CC(=O)C3(C2C=C(C1=O)O)C)C)C(C)(C(=O)C=CC(C)(C)O)O)O)C)C | ||
| InChI | 1S/C30H42O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-13,17,19-20,23,31-32,36-37H,10,14-15H2,1-8H3/b12-11+/t17-,19-,20+,23+,27+,28-,29+,30+/m1/s1 | ||
| InChIKey | NISPVUDLMHQFRQ-MKIKIEMVSA-N | ||
| CAS Number | 2222-07-3 | ||
| ChEMBL ID | CHEMBL387737 | ||
| ChEBI ID | CHEBI:3947 | ||
| KEGG ID | C08800 | ||
| 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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2D
MOL
3D
MOL
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| Chineses Pinyin | BaiXieGen | ||
| Pair Name | Cucurbitacin I, Fluorouracil | |||
| Partner Name | Fluorouracil | |||
| Disease Info | [ICD-11: 2B90.Z] | Colon cancer | Investigative | |
| Biological Phenomena | Inhibition-->Cell metastasis | |||
| Gene Regulation | Down-regulation | Phosphorylation | STAT3 | hsa6774 |
| Down-regulation | Expression | MMP9 | hsa4318 | |
| In Vitro Model | COLO 205 | Colon adenocarcinoma | Homo sapiens (Human) | CVCL_0218 |
| Result | Our results suggest that cucurbitacin I may be a potent adjuvant chemotherapeutic agent for colon cancer with anti-migration, anti-invasion and chemosensitizing activities. | |||
