Compounds TRAF6 (3HCT) DS MM-GBSA NHA LE Methylcyclohexane −4.23 −15.5462 7 2.22 Phenol −4.75 −17.0982 7 2.44 Sulcatone −3.224 −22.1931 9 2.47 Butanoic acid, 2,3-dimethyl-, ethyl ester −3.328 −17.6969 10 1.77 1,2-Cyclohexanedione −5.406 −17.7531 8 2.22 4-Methyl-1,5-heptadiene −1.225 −18.4899 8 2.31 Catechol −4.53 −18.205 8 2.28 Coumaran −3.768 −20.8505 9 2.32 Hydroquinone −4.795 −18.3408 8 2.29 p-Vinylguaiacol −4.303 −17.778 11 1.62 Gamma-pyronene −4.133 −21.4044 10 2.14 4-Ethylresorcinol −5.48 −19.6712 10 1.97 2-(2-Hydroxy-2-phenylethyl)-3,5,6-trimethylpyrazine −5.119 −41.8887 18 2.33 Ethanone, 1-(3,4-dimethoxyphenyl)- −5.708 −29.3694 13 2.26 Spathulenol — — — — Caryophyllene oxide — — — — Cyclopentanecarboxaldehyde, 2-methyl-3-methylene- −5.198 −20.7855 9 2.31 Epiglobulol — — — — 4(1H)-pyrimidinone, 6-hydroxy- −5.483 −15.5853 8 1.95 Cyclododecanone, 2-methylene- −4.619 −3.58279 14 0.26 2,3-Dehydro-4-oxo-7,8-dihydro-beta-ionone −4.327 −25.9777 15 1.73 Diepicedrene-1-oxide — — — — Coniferol −3.698 −31.781 13 2.44 Methyl 6,9,12-hexadecatrienoate 0.144 −27.9098 19 1.47 Phytol 1.098 −20.446 21 0.97 1,3,6,10-Cyclotetradecatetraene, 3,7,11-trimethyl-14-(1-methylethyl)-, [S-(E,Z,E,E)]- — — — — (Z,E)-Farnesol −0.033 −18.0454 16 1.13 Geranyl acetate −2.742 −22.1469 24 0.92 Farnesol, acetate −0.582 −27.6353 24 1.15 3-Furaldehyde −4.911 −16.8696 7 2.41 trans-13-Docosenamide −2.779 −43.4455 24 1.81 Squalene −2.1 −40.8237 30 1.36 Chola-5,22-dien-3-ol, (3.beta.,22Z)- −2.904 −21.7666 25 0.87 Curan-17-oic acid, 2,16-didehydro-20-hydroxy-19-oxo-, methyl ester — — — — Geranylgeraniol −0.313 −26.3103 21 1.253 2-Hydrazino-8-hydroxy-4-phenylquinoline −4.282 −21.7512 19 1.14 Cycloartenol −2.32 −17.571 31 0.57 Ursa-9(11),12-dien-3-ol — — — — Urs-12-ene −2.153 −13.0659 30 0.44 Stigmast-4-en-3-one −2.229 −18.7231 30 0.62 Ursa-9(11),12-dien-3-one — — — — C(14a)-homo-27-nor-14-beta-gammaceran-3.alpha.-ol — — — — Friedelin — — — — Longipinane, (E)- — — — — Lanosterol −2.204 −16.5677 31 0.53 Aspirin −4.81 −26.889 13 2.07
