Compound ID | 2172

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Punicalagin

Class: Antivirulence agent

Spectrum of activity: Gram-positive
Details of activity: Active against Staphylococcus aureus
Description: Natural product polyphenol ingredient isolated from pomegranate (Punica granatum L.) or the leaves of Terminalia catappa L.; synergistic effect with beta-lactams
Year first mentioned: 2022
Development status: Experimental
Chemical structure(s):
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Molecular weight: 1084.72
Iso. SMILES: C1[C@@H]2[C@H]([C@H]3[C@H](C(O2)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O3)O)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C(C(=C8C9=C7C(=O)OC%10=C(C(=C(C%11=C(C(=C(C=C%11C(=O)O1)O)O)O)C(=C9%10)C(=O)O8)O)O)O)O)O)O)O
InChI Key: ZJVUMAFASBFUBG-UYMKNUMKSA-N
Can. SMILES: C1=C(C(=C(C2=C1C(=O)OC[C@@H]3[C@H]([C@H]4[C@H](C(O)O3)OC(=O)C5=C(C6=C(C=C(C(=C6O)O)O)C(=O)O4)C(=C(C(=C5)O)O)O)OC(=O)C7=C(C8=C9C%10=C(C(=C8O)O)OC(=O)C%11=C2C(=C(C(=C%10%11)OC9=O)O)O)C(=C(C(=C7)O)O)O)O)O)O
InChI: InChI=1S/C48H28O30/c49-10-1-6-17(31(59)27(10)55)19-23-21-22-24(47(70)76-38(21)35(63)33(19)61)20(34(62)36(64)39(22)75-46(23)69)18-9(4-13(52)28(56)32(18)60)43(66)74-37-14(5-72-42(6)65)73-48(71)41-40(37)77-44(67)7-2-11(50)25(53)29(57)15(7)16-8(45(68)78-41)3-12(51)26(54)30(16)58/h1-4,14,37,40-41,48-64,71H,5H2/t14-,37-,40+,41-,48?/m1/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/44584733
Citation: https://journals.asm.org/doi/10.1128/aac.00224-22

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