ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules

Class: Organic Chemicals

S. No.COMPOUND
1 isostrychnine N-oxide
2 helenalin
3 isocupressic acid
4 vitexilactone
5 trans-dehydrocrotonin
6 dehydroabietic acid
7 pisiferic acid
8 Stachybotrydial (Mer-NF5003F)
9 4',5'-Dihydro-11,5'-dihydroxy-4'-metho-xytephrosin
10 4-Methylsulfinyl butyl isothiocyanate
11 Ascorbic acid
12 Goniodiol-7-monoacetate
13 Diffractaic Acid
14 4-(2,4,5-Trimethoxyphenyl)-but-1,3-di-ene
15 Paeonol
16 1'-Acetoxychavicol acetate
17 1'-Acetoxyeugenol acetate
18 p-Coumaric acid
19 (E)-4-(3,4-Dihydroxyphenyl)but-3-en-2-one
20 Ethyl-p-methoxycinnamate
21 Ferulic acid
22 Methyl caffeate
23 trans-Methyl p-coumarate
24 Sinapaldehyde
25 trans-Sinapic acid methylester
26 Xanthoxylin
27 Buchanaxanthone
28 7-Chloro-1,2,3-trihydroxy-6-methoxy-xanthone
29 1,6-Dihydroxy-3,5-dimethoxyxanthone
30 1,6-Dihydroxy-5,7-dimethoxyxanthone
31 1,3-Dihydroxy-7-methoxyxanthone
32 1,3-Dihydroxy-5-methoxyxanthone-4-sulfonate
33 1,3-Dihydroxy-2,4,7-trimethoxyxanthone
34 1,6-Dihydroxy-3,5,7-trimethoxyxanthone
35 1,5-Dihydroxyxanthone
36 1,7-Dihydroxyxanthone
37 Gerontoxanthone G
38 Globulixanthone D
39 11-Hydroxy-1-isomangostin
40 5-Hydroxy-1-methoxyxanthone
41 Linixanthone A
42 Linixanthone B
43 Mesuaxanthone A
44 10-O-Methylmacluraxanthone
45 Psorospermin
46 3',5'-Dimethoxy-biphenyl-4-ol
47 Garcibiphenyl A
48 Halophilol A
49 2,4,4'-Trihydroxystilbene
50 Cudranone
51 Norobtusifolin
52 Mallotochromene
53 Ptaeroglycol
54 Isomorellin
55 Vismiaguianin A
56 Columbianetin
57 Coumestrol
58 Isopimpinellin
59 4'-Demethyldeoxypodophyllotoxin
60 4'-Demethyl-podophyllotoxin
61 Isochaihulactone
62 Methyl gallate
63 Methyl-4-O-methylgallate
64 (E)-ethylcaffeate
65 (Z)-coniferyl alcohol
66 1-hydroxy-2-methylanthraquinone
67 1-methoxy-2-hydroxyanthraquinone
68 16-oxo-cleroda-3,13-dien-15-oic acid
69 2-(1,6-dihydroxy-4-oxocyclohex-2-enyl) acetic acid
70 2-hydroxy-1,7-dimethoxyxanthone
71 2-hydroxy-3,4-dimethoxybenzaldehyde
72 3-(3,4-dimethoxyphenyl)propan-1-ol
73 3-Oxo-21alpha-ethoxy-24,25,26,27-tetranortirucall-7-ene-23(21)-lactone
74 3-Oxo-21alpha-methoxy-24,25,26,27-tetranortirucall-7-ene-23(21)-lactone
75 3-Oxo-21beta-methoxy-24,25,26,27-tetranortirucall-7-ene-23(21)-lactone
76 3-oxo-24,25,26,27-tetranortirucall-7-ene-23(21)-lactone
77 3alpha-Hydroxy-21alpha-methoxy-24,25,26,27-tetranortirucall-7-ene-23(21)-lactone
78 3alpha-Hydroxy-21beta-methoxy-24,25,26,27-tetranortirucall-7-ene-23(21)-lactone
79 3alpha-hydroxy-24,25,26,27-tetranortirucall-7-ene-23(21)-lactone
80 4'-demethylpodophyllotoxin
81 5-(Methylsulfinyl)-4-Pentenenitrile
82 5-(Methylsulfinyl)-Pentanenitrile
83 5-acetylgoniopypyrone
84 7-methyljuglone
85 Aristolactam AII
86 Atranorin
87 Compound-15(Phyllanthus emblica)
88 Damnacanthal
89 Evelynin
90 Hydroxychavicol
91 Isodonol
92 Isopinnatal
93 Jacaranone ethyl ester
94 Mansonone E
95 Mollissin
96 Progallin A
97 Shikonin
98 Viscosalactone B
99 caffeic acid
100 cleistopholine
101 ent-kauran-19-al-17-oic acid
102 goniofufurone
103 isoegomaketone
104 methyl ferulate
105 regiolone
106 rubiarbonol G
107 rubiarbonone E 19-acetate
108 withametelin F
109 withametelin L
110 withametelin O
111 2-acetylfuro-1,4-naphthoquinone
112 Caffeic acid
113 Cinnamyl alcohol
114 candenatenin D
115 thiacremonone
116 Maleic acid monoethyl ester
117 Perillaldehyde
118 Quinic acid
119 S-allylmercaptocysteine
120 Sulforaphane
121 Ascorbic acid
122 Isoiguesterol
123 Phloroglucinol
124 Sodium butyrate
125 28-hydroxyisoiguesterin
126 deca-4,6-diyn-2-(Z)-enoic methyl ester
127 deca-2,4 diene-4-hydrooxy-6-yn-1,4-olide
128 cannabisin D
129 maytanprine
130 maytansine
131 scarlet808
132 luzonial A
133 microstegiol
134 kansuinine B
135 25-Hydroxy-3-epidehydrotumulosic acid
136 Saponaceol A
137 Isomangiferolic acid
138 15-O-Deacetylnimbolidin B
139 Simalikalactone D
140 Glochidonol
141 Lupeol acetate
142 Soyasapogenol B monoglucuronide
143 3-O-Acetylursolic acid
144 Geranyloxy sinapyl alcohol
145 Geranyloxy sinapyl aldehyde
146 BF-4
147 BF-5
148 Calyxin E
149 Calyxin G
150 Calyxin K
151 Epicalyxin J
152 Epicalyxin K
153 Epicalyxin M
154 Goniolactone B
155 Neocalyxin A
156 Neocalyxin B
157 Calyxin L
158 4-Hydroxyderricin
159 3'-(gamma-Hydroxymethyl-(E)-gamma-methylallyl)-2,4,2',4'-tetrahydroxychalcone 11'-O-coumarate
160 7-O-Methoxypraecansone B
161 Xanthohumol B
162 Diuvaretin
163 Diosgenin 3-O-alpha-L-rhamnopyranosyl-(1->4)-alpha-L-rhamnopyranosyl-(1->4))-(alpha-L-rhamnopyranosyl-(1->2))-beta-D-glucopyranoside
164 Protodioscin
165 14-Octacosanol
166 Anticancer Fatty acid PMV70P691-75
167 Fumaric acid
168 cis-Aconitic acid
169 Coixenolide
170 Cicutoxin
171 3R,8R-Dehydrofalcarindiol
172 Ginsenoyne E
173 Panaquinquecol 1
174 Panaxacol
175 Panaxydol
176 Panaxytriol
177 Safynol
178 Prostaglandin A1
179 Surinone A
180 Surinone C
181 Chlorogenic acid
182 3,4-Di-O-caffeoylquinic acid
183 L-(-)-alpha-Monopalmitin
184 Anticancer Glycerol Ester PMV70P691-117
185 Anticancer Glycerol Ester PMV70P691-118
186 Anticancer Glycerol Ester PMV70P691-119
187 Allitridin
188 Allyl methyl trisulfide
189 Dipropyl disulfide
190 Erysoline
191 Glucoerysolin
192 Methyl allyl disulfide
193 Annocherimolin
194 Asimicin
195 Bullatanocin
196 Corossoline
197 Corossolone
198 cis-Corossolone
199 Longifolicin
200 Muricatocin A
201 Muricatocin B
202 Muricatocin C
203 Muricin A
204 Muricin B
205 Muricin C
206 Muricin D
207 Muricin F
208 Muricin H
209 Muricin I
210 Neoannonin
211 Otivarin
212 Parvifloracin
213 Parviflorin
214 Purpuracenin
215 Purpureacin 1
216 Purpureacin 2
217 Pyragonicin
218 Rollimusin
219 Squamocin
220 Squamotacin
221 Gigantetronenin
222 cis-Goniothalamicin
223 Isodesacetyluvaricin
224 Casealactone
225 Isoobtusilactone
226 Protolichesterinic acid
227 Howiinol A
228 Pectinolide A
229 Aculeatin D
230 3,4,1-O-3,4-Dimethoxy-phenylethyl-6-O-cinnamoyl-beta-D-glucopyranose
231 1-O-3,4-Dimethoxy-phenylethyl-4-O-3,4-dimethoxycinnamoyl-6-O-cinnamoyl-beta-D-glu-copyranose
232 Acrovestone
233 Guttiferone A
234 Guttiferone G
235 Hypercalin B
236 Lupulone C
237 Panduratin A
238 Acumitin
239 1,3-Di-p-hydroxyphenyl-4-penten-1-one
240 3'-Methoxynyasin
241 3''-Methoxynyasol
242 Anticancer Diarylheptanoid PMV70-P691-010
243 1,7-Bis(4-hydroxyphenyl)hepta-4E,6E-dien-3-one
244 Blepharocalyxin C
245 Lupulone A
246 Lupulone B
247 alpha-Peltatin glucoside
248 beta-Peltatin glucoside
249 (-)-Secoisolariciresinol
250 Steganacin
251 Grossamide
252 4-(4''-O-Acetyl-alpha-rhamnopyranosyl)ella-gic acid
253 4,4'-O-Dimthylellagic acid 3-(2'',3''-di-O-acetyl)-alpha-L-rhamnoside
254 4'-O-Mthylellagic acid 3-(2'',3''-di-O-acetyl)-alpha-L-rhamnoside
255 (+)-Grandifloracin
256 (+)-isoaltholactone
257 (+)-tephrosone
258 (-)-Menthol
259 (2R, 3R) pinobanksin-3-caffeoylate
260 (2S,3R)-3-hydroxymethyl-N-(2'-hydroxynonacosanoyl)-trideca-9E-sphingenine
261 1,6-Di-O-p-hydroxybenzoyl-beta-D-glucopyranoside
262 1-O-beta-D-glucopyranosyl-(2S, 3R)-N-(2'-hydroxype-ntacosanoyl)-octadeca-11E-sphingenine
263 1-O-beta-D-glucopyranosyl-(2S,3R)-N-(2'-hydroxyhe xacosanoyl)-octadeca-11E-sphingenine
264 1-O-beta-d-glucopyranosyl-(2S,3R)-3-hydroxymethyl-N-(2'-hydroxynonacosanoyl)-trideca-9E-sphingenine
265 1-monopalmitin
266 16,19-cis-murisolin
267 2',4',4-trihydroxy-3'-geranylchalcone
268 3,4,5-tri-CQA
269 3,4,5-tri-O-caffeoylquinic acid
270 3,4-di-Caffeoylquinic acid
271 3,4-di-O-caffeoylquinic acid methyl ester
272 3,5-di-Caffeoylquinic acid
273 3,5-di-O-caffeoylquinic acid methyl ester
274 3,5-dimethoxy gallic acid-4-O-beta-D-glycosidase
275 3-(3,3-dimethylallyl)-5-(3-acetyl-2,4-dihydroxy-5-methy1-6-methoxybenzyl)-phloracetophenone
276 3-(3-methyl-2-hydroxybut-3-enyl)-5-(3-acetyl-2,4-dihydroxy-5-methyl-6-methoxybenzyl)-phloracetophenone
277 4'-O-methylellagic acid 3-(2'',3''-di-O-acetyl)-alpha-l-rhamnoside
278 4,5-di-Caffeoylquinic acid
279 4-O-Methylxanthohumol
280 Aculeatin B
281 Agathic acid
282 Cathine
283 Chlorophyllin
284 Crotepoxide
285 Dioctyl phthalate
286 Millepachine
287 Murisolin
288 Pharnilatin A
289 Pharnilatin B
290 Phoyunbene D
291 Sulforaphane
292 Trilobalicin
293 Vitetrifolin D
294 Xanthoangelol F
295 Xanthoangelol H
296 Xanthoangelol I
297 Xanthoangelol
298 Yakuchinone A [1-(4'-hydroxy-3'-methoxyphenyl)-7-phenyl-3-heptanone]
299 alpha-Eleostearic acid
300 cheliensisin A
301 cryptolactones A1
302 cryptolactones A2
303 cryptolactones B1
304 cryptolactones B2
305 gabunine
306 glucotropaeolin
307 guttiferone K
308 hispidol B
309 isobutyrylmallotochromanol
310 isoobrusilactone
311 isoobtusilactone A
312 isoricinoleic acid methylester
313 linderanolide
314 luzonial B
315 methyl rosmarinate
316 papyriferic acid
317 rosmarinic acid
318 rottlerin
319 stigmast-4-ene-3beta,6alpha-diol
320 tomoeones E
321 tomoeones F
322 trans-3-p-coumaroylquinic acid
323 trans-N-feruloyloctopamine
324 alpha,beta-dihydro-3',6-dihydroxy-2,4,6'-trimethoxy-3-(3'',4''-dihydroxybenzyl)chalcone
325 candenatenin A
326 2(R)-hydroxybutanedioic acid
327 Diallyl trisul?de
328 4-beta-D-(glucopyranosyloxy)-3-[3-methoxy-trans-isopenten-1-yl]acetophenone
329 candenatenin B
330 Allicin
331 Cinnamaldehyde
332 candenatenin C
333 [3]-Dehydroparadol
334 5-O-caffeoylshikimic acid
335 Chlorogenic acid
336 Chloroquine
337 Diallyldisulfide
338 Diallylsulfide
339 Phenethylisothiocyanate
340 17-(methoxycarbonyl)-28-nor-isoiguesterin
341 deca-4,6-diyn-2-(Z)-enoic ethyl ester
342 3-O-caffeoyl-quinic acid methyl ester

 




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