Drug details:
Molecular formula: C₃₀H₅₀O

Standard name: (1R,4aS,4bS,6aS,8R,10aR,10bS,12aS)-1,4b,6a,8,10a,12a-hexamethyl-8-(4-methylpent-3-enyl)-1,3,4,4a,5,6,7,9,10,10b,11,12-dodecahydrochrysen-2-one

Synonyms:

(1R,4aS,4bS,6aS,8R,10aR,10bS,12aS)-1,4b,6a,8,10a,12a-hexamethyl-8-(4-methylpent-3-en-1-yl)hexadecahydrochrysen-2(1H)-one (1R,4aS,4bS,6aS,8R,10aR,10bS,12aS)-1,4b,6a,8,10a,12a-hexamethyl-8-(4-methylpent-3-enyl)-1,3,4,4a,5,6,7,9,10,10b,11,12-dodecahydrochrysen-2-one 2(1H)-CHRYSENONE, HEXADECAHYDRO-1,4B,6A,8,10A,12A-HEXAMETHYL-8-(4-METHYL-3-PENTEN-1-YL)-, (1R,4AS,4BS,6AS,8R,10AR,10BS,12AS)- 2(1H)-CHRYSENONE, HEXADECAHYDRO-1,4B,6A,8,10A,12A-HEXAMETHYL-8-(4-METHYL-3-PENTENYL)-, (1R-(1.ALPHA.,4A.BETA.,4B.ALPHA.,6A.BETA.,8.BETA.,10A.ALPHA.,10B.BETA.,12A.ALPHA.))- D-Homo-5.alpha.-androstan-17-one, 3.alpha.,5,8,17a.beta.-tetramethyl-3-(4-methyl-3-pentenyl)- D:A-Friedo-18,19-secolup-19-en-3-one Shionon SHIONONE [MI]

Curated SMILES: C[C@H]1C(=O)CC[C@@H]2[C@@]1(CC[C@H]3[C@]2(CC[C@@]4([C@@]3(CC[C@@](C4)(C)CCC=C(C)C)C)C)C)C

Evidence for compound's anti-virulence activity:

Streptococcus
Related VF: Pneumolysin
Target: Ply
Drug effect: Suppresses the pore-forming activity of Pneumolysin by inhibiting oligomerization of Pneumolysin.
Max phase: Preclinical (in vivo)
Publication:
Du R, et al., 2022. Shionone-Targeted Pneumolysin to Ameliorate Acute Lung Injury Induced by Streptococcus pneumoniae In Vivo and In Vitro. Molecules 27(19):6258.