(1beta)-isomer of fangchinoline, 7-O-demethyl-tetrandrine, 7-O-demethyltetrandrine, berbaman-7-ol, 6,6',12-trimethoxy-2,2'-dimethyl-, (1beta)-, fangchinoline, isofangchinoline, limacine, thaligine, thalrugosine
Name | Fangchinoline | ||
PubChem CID | 73481 | ||
Molecular Weight | 608.7g/mol | ||
Synonyms |
(1beta)-isomer of fangchinoline, 7-O-demethyl-tetrandrine, 7-O-demethyltetrandrine, berbaman-7-ol, 6,6',12-trimethoxy-2,2'-dimethyl-, (1beta)-, fangchinoline, isofangchinoline, limacine, thaligine, thalrugosine |
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Formula | C₃₇H₄₀N₂O₆ | ||
SMILES | CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)O)OC)OC | ||
InChI | 1S/C37H40N2O6/c1-38-14-12-24-19-31(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-32-18-23(8-11-30(32)41-3)17-29-35-25(13-15-39(29)2)20-34(43-5)36(40)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29-/m0/s1 | ||
InChIKey | IIQSJHUEZBTSAT-VMPREFPWSA-N | ||
CAS Number | 436-77-1 | ||
ChEMBL ID | CHEMBL504256 | ||
ChEBI ID | CHEBI:132893 | ||
Herb ID | HBIN026356 | ||
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 |
Download
2D
MOL
3D
MOL
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Chineses Pinyin | FenFangJi | ||
Use Part | Stephania tetrandra S. Moore | ||
Habitat | ZheJiang, AnHui, JiangXi, FuJian, GuangDong, GuangXi | ||
Species |
>Kingdom: Viridiplantae
-->Phylum: Streptophyta
-->Class: Equisetopsida
-->Order: Ranunculales
-->Family: Menispermaceae
-->Genus: Stephania
-->Species: Stephania tetrandra
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Pair Name | Fangchinoline, Everolimus | |||
Partner Name | Everolimus | |||
Disease Info | [ICD-11: 2C25] | Lung cancer | Investigative | |
Biological Phenomena | Induction-->Apoptosis | |||
Gene Regulation | Up-regulation | Cleavage | CASP3 | hsa836 |
Up-regulation | Expression | DDIT3 | hsa1649 | |
Down-regulation | Phosphorylation | EIF4EBP1 | hsa1978 | |
Up-regulation | Expression | HES1 | hsa3280 | |
Up-regulation | Expression | MAP1LC3B | hsa81631 | |
Up-regulation | Expression | MYC | hsa4609 | |
Up-regulation | Expression | NOTCH1 | hsa4851 | |
Up-regulation | Expression | NOTCH3 | hsa4854 | |
Up-regulation | Cleavage | PARP1 | hsa142 | |
In Vitro Model | A-549 | Lung adenocarcinoma | Homo sapiens (Human) | CVCL_0023 |
NCI-H1299 | Lung large cell carcinoma | Homo sapiens (Human) | CVCL_0060 | |
NCI-H358 | Minimally invasive lung adenocarcinoma | Homo sapiens (Human) | CVCL_1559 | |
HCC827 | Lung adenocarcinoma | Homo sapiens (Human) | CVCL_2063 | |
NCI-H1975 | Lung adenocarcinoma | Homo sapiens (Human) | CVCL_1511 | |
Result | Firstly link CHOP to Notch 3/c-MYC axis-dependent apoptosis and provide the Notch 3/c-MYC/CHOP activation as a promising strategy for mTOR-targeted combination therapy in lung cancer treatment. |