3D model is for representation purpose only.
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XFV | glycol acid | Curcumin |
Identification | |
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ConjuPepDB ID | cpd00053 |
Smiles | |
Inchi Key | InChIKey=WCMWBZODYLCBEE-WWDXZQLKSA-N |
Molecular weight | 686.284 |
Molecular formula | C38H42N2O10 |
Chemical name | Peptide information |
Sequence (one letter) | XFV |
Length | 3 |
Peptide name | dipeptide |
External ID | |
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CAS number | 2375240-20-1 |
Other information | |
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Application | Anticancer therapy, HepG2 and SMMC-7721 cells |
Additional function | Improved penetration (PepT1 mediated transport) and improve solubility |
Pharmacological class | anticancer |
Conjugate type | amide |
Linker | N/A |
Linker Type | glycol acid |
Small molecule | Curcumin |
Small molecule CAS | 458-37-7 |
Small molecule structure | |
Structure method | 1H- and 13C NMR |
NMR solvent | DMSO-d6 |
Calculated properties | |
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LogP | 4.99959 |
Rotatable bonds | 18 |
H bond donor | 4 |
H bond acceptor | 9 |
Polar surface area (PSA) | 169.72000 |
Citations | |||||
---|---|---|---|---|---|
ID | Title | Year | Authors | Journal | DOI |
Synthesis and biological evaluation of a novel series of curcumin-peptide derivatives as PepT1-mediated transport drugs | 2019 | Zhang, Jiyun; Wen, Hongmei; Shen, Fei; Wang, Xinzhi; Shan, Chenxiao; Chai, Chuan; Liu, Jian; Li, Wei | Bioorganic Chemistry |