Compounds MYD88 (4EO7) DS MM-GBSA NHA LE Methylcyclohexane −2.691 −2.45925 7 0.35 Phenol −3.654 −5.09725 7 0.73 Sulcatone −1.726 −8.41174 9 0.93 Butanoic acid, 2,3-dimethyl-, ethyl ester −1.597 −2.95307 10 0.29 1,2-Cyclohexanedione −3.341 −6.76768 8 0.85 4-Methyl-1,5-heptadiene 0.155 −14.7508 8 1.84 Catechol −3.771 −8.25542 8 1.03 Coumaran — — — — Hydroquinone −3.855 −12.4109 8 1.55 p-Vinylguaiacol −3.207 −14.8801 11 1.35 Gamma-pyronene — — — — 4-Ethylresorcinol −4.822 −13.2875 10 1.33 2-(2-Hydroxy-2-phenylethyl)-3,5,6-trimethylpyrazine −3.247 −32.6507 18 1.81 Ethanone, 1-(3,4-dimethoxyphenyl)- −3.317 −10.222 13 0.79 Spathulenol — — — — Caryophyllene oxide −2.647 −17.446 16 1.09 Cyclopentanecarboxaldehyde, 2-methyl-3-methylene- — — — — Epiglobulol — — — — 4(1H)-pyrimidinone, 6-hydroxy- −4.189 −6.98163 8 0.87 Cyclododecanone, 2-methylene- — — — — 2,3-Dehydro-4-oxo-7,8-dihydro-beta-ionone — — — — Diepicedrene-1-oxide — — — — Coniferol −3.03 −22.5252 13 1.73 Methyl 6,9,12-hexadecatrienoate — — — — Phytol 0.454 −26.4647 21 1.26 1,3,6,10-Cyclotetradecatetraene, 3,7,11-trimethyl-14-(1-methylethyl)-, [S-(E,Z,E,E)]- — — — — (Z,E)-Farnesol 0.368 −26.3771 16 1.65 Geranyl acetate −2.457 −29.1004 24 1.21 Farnesol, acetate 0.023 −20.0217 24 0.83 3-Furaldehyde — — — — trans-13-Docosenamide −2.916 −42.0383 24 1.75 Squalene −2.59 −40.4505 30 1.35 Chola-5,22-dien-3-ol, (3.beta.,22Z)- −2.236 −7.69418 25 0.31 Curan-17-oic acid, 2,16-didehydro-20-hydroxy-19-oxo-, methyl ester — — — — Geranylgeraniol 0.094 −25.417 21 1.21 2-Hydrazino-8-hydroxy-4-phenylquinoline −3.068 −7.45669 19 0.39 Cycloartenol −1.726 −21.1763 31 0.68 Ursa-9(11),12-dien-3-ol — — — — Urs-12-ene −1.704 −11.5462 30 0.38 Stigmast-4-en-3-one −1.772 −19.7209 30 0.66 Ursa-9(11),12-dien-3-one — — — — C(14a)-homo-27-nor-14-beta-gammaceran-3-alpha-ol — — — — Friedelin — — — — Longipinane, (E)- −2.592 −11.7102 15 0.78 Lanosterol −1.84 −21.6645 31 0.69 Aspirin −1.659 −5.81427 13 0.45
