Compound ID | 1751

Update compound information

Hopeaphenol

Class: Antivirulence agent (T3SS)

Spectrum of activity: Gram-negative
Details of activity: Active against Y. pseudotuberculosis and P.aeruginosa; EtoX inhibitor
Year first mentioned: 2020
Highest developmental phase: Preclinical
Chemical structure(s):
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Molecular weight: 906.93
Iso. SMILES: C1=CC(=CC=C1C2C3C(C(C4=C(C=C(C=C4O)O)C5C(OC6=CC(=CC3=C56)O)C7=CC=C(C=C7)O)C8=CC=C(C=C8)O)C9=C%10C(C(OC%10=CC(=C9)O)C%11=CC=C(C=C%11)O)C%12=C2C(=CC(=C%12)O)O)O
InChI Key: KXQWNDQYZPWZPI-UHFFFAOYSA-N
Can. SMILES: C1=C(C=CC(=C1)O)C2C3=C(C=C(C=C3C4C5=C(C=C(C=C5C6C(C7=CC=C(C=C7)O)C8=C(C=C(C=C8C9C%10=C(C=C(C=C%10C26)O)OC9C%11=CC=C(C=C%11)O)O)O)O)OC4C%12=CC=C(C=C%12)O)O)O
InChI: InChI=1S/C56H42O12/c57-29-9-1-25(2-10-29)45-47-37(17-33(61)21-41(47)65)53-50-40(20-36(64)24-44(50)68-55(53)27-5-13-31(59)14-6-27)52-46(26-3-11-30(58)12-4-26)48-38(18-34(62)22-42(48)66)54-49-39(51(45)52)19-35(63)23-43(49)67-56(54)28-7-15-32(60)16-8-28/h1-24,45-46,51-66H
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/495605
Citation: https://www.nature.com/articles/s41429-020-0344-z

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