CHEMIEBASE

3D MOLECULAR STRUCTURAL DATABASE OF BIOACTIVE COMPOUNDS FROM NATURAL PRODUCTS IN THAILAND

Compounds List

288compounds

CID Name Class Formula CAS No.
1 L(+)-Ascorbic acid - C6H8O6 50-81-7
2 D(+)-Glucose - C6H12O6 50-99-7
3 Histamine - C5H9N3 51-45-6
4 L-Lysine - C6H14N2O2 56-87-1
5 L-Cystine - C6H12N2O4S2 56-89-3
6 Palmitic acid - C16H32O2 57-10-3
7 Stearic acid - C18H36O2 57-11-4
8 Adenosine - C10H13N5O4 58-61-7
9 L-Tyrosine - C9H11NO3 60-18-4
10 Linoleic acid - C18H32O2 60-33-3
11 L-Methionine - C5H11NO2S 63-68-3
12 L-Phenylalanine - C9H11NO2 63-91-2
13 Colchicine - C22H25NO6 64-86-8
14 5-Hydroxymethylfurfural - C6H6O3 67-47-0
15 L-Threonine - C4H9NO3 72-19-5
16 L-Tryptophan - C11H12N2O2 73-22-3
17 L(+)-Arginine - C6H14N4O2 74-79-3
18 Hydrocyanic acid - CHN 74-90-8
19 Acetaldehyde - C2H4O 75-07-0
20 Camphor - C10H16O 76-22-2
21 Bornyl acetate - C12H20O2 76-49-3
22 Ursolic acid - C30H48O3 77-52-1
23 Linalool - C10H18O 78-70-6
24 Camphene - C10H16 79-92-5
25 Alpha-Pinene - C10H16 80-56-8
26 Beta-Sitosterol - C29H50O 83-46-5
27 Stigmasterol - C29H48O 83-48-7
28 Phytic acid - C6H18O24P6 83-86-3
29 Diisobutyl phthalate - C16H22O4 84-69-5
30 Dibutyl phthalate - C16H22O4 84-74-2
31 Beta-Caryophyllene - C15H24 87-44-5
32 Pyrogallol - C6H6O3 87-66-1
33 Phthalic acid - C8H6O4 88-99-3
34 DL-Menthol - C10H20O 89-78-1
35 Piperitone - C10H16O 89-81-6
36 Coumarin - C9H6O2 91-64-5
37 Scopoletin - C10H8O4 92-61-5
38 Methyl eugenol - C11H14O2 93-15-2
39 7-Hydroxycoumarin - C9H6O3 93-35-6
40 Piperonylic acid - C8H6O4 94-53-1
41 Safrole - C10H10O2 94-59-7
42 Eugenol - C10H12O2 97-53-0
43 Furfural - C5H4O2 98-01-1
44 Alpha-Terpineol - C10H18O 98-55-5
45 Alpha-Phellandrene - C10H16 99-83-2
46 Alpha-Terpinene - C10H16 99-86-5
47 p-Cymene - C10H14 99-87-6
48 4-Hydroxybenzoic acid - C7H6O3 99-96-7
49 Benzyl alcohol - C7H8O 100-51-6
50 3-Phenylpropionic acid methyl ester - C10H12O2 103-25-3
51 Methyl cinnamate - C10H10O2 103-26-4
52 Phenylpropyl aldehyde - C9H10O 104-53-0
53 Cinnamaldehyde - C9H8O 104-55-2
54 Geranyl formate - C11H18O2 105-86-2
55 Geranyl acetate - C12H20O2 105-87-3
56 Citronellol - C10H20O 106-22-9
57 Citronellal - C10H18O 106-23-0
58 Geraniol - C10H18O 106-24-1
59 Nerol - C10H18O 106-25-2
60 Phloroglucinol - C6H6O3 108-73-6
61 Phenol - C6H6O 108-95-2
62 Cyclohexane - C6H12 110-82-7
63 6-Methyl-5-hepten-2-one - C8H14O 110-93-0
64 Methyl hexadecanoate - C17H34O2 112-39-0
65 Oleic acid - C18H34O2 112-80-1
66 N-Eicosane - C20H42 112-95-8
67 Quercetin - C15H10O7 117-39-5
68 Bis(2-ethylhexyl) phthalate - C24H38O4 117-81-7
69 Vanillic acid - C8H8O4 121-34-6
70 Myrcene - C10H16 123-35-3
71 Taraxerol - C30H50O 127-22-0
72 Beta-Pinene - C10H16 127-91-3
73 DL-Limonene - C10H16 138-86-3
74 4-Allylanisole - C10H12O 140-67-0
75 Lauric acid - C12H24O2 143-07-7
76 Gallic acid - C7H6O5 149-91-7
77 Phytol - C20H40O 150-86-7
78 Rutin - C27H30O16 153-18-4
79 Cianidanol - C15H14O6 154-23-4
80 Azulene - C10H8 275-51-4
81 laudanidine - C20H25NO4 301-21-3
82 Chlorogenic acid - C16H18O9 327-97-9
83 Genistein - C15H10O5 446-72-0
84 Cycloalliin - C6H11NO3S 455-41-4
85 Curcumin - C21H20O6 458-37-7
86 Hydnocarpic acid - C16H28O2 459-67-6
87 Linolenic acid - C18H30O2 463-40-1
88 L(-)-Borneol - C10H18O 464-45-9
89 Carotol - C15H26O 465-28-1
90 1,8-Cineole - C10H18O 470-82-6
91 Betulinic acid - C30H48O3 472-15-1
92 Betulin - C30H50O2 473-98-3
93 Ellagic acid - C14H6O8 476-66-4
94 Droserone - C11H8O4 478-40-0
95 Rhein - C15H8O6 478-43-3
96 Coumestrol - C15H8O5 479-13-0
97 Casticin - C19H18O8 479-91-4
98 Astragalin - C21H20O11 480-10-4
99 Pinostrobin - C16H14O4 480-37-5
100 A-Spinasterol - C29H48O 481-18-5
101 Plumbagin - C11H8O3 481-42-5
102 Cepharanthine - C37H38N2O6 481-49-2
103 Aloe emodin - C15H10O5 481-72-1
104 Chrysophanic acid - C15H10O4 481-74-3
105 Isoquercitrin - C22H22O11 482-35-9
106 Rotundine - C21H25NO4 483-14-7
107 (+)-Delta-Cadinene - C15H24 483-76-1
108 Daidzein - C15H10O4 486-66-8
109 Elemicin - C12H16O3 487-11-6
110 Chrysophanol anthrone - C15H12O3 491-58-7
111 Luteolin - C15H10O6 491-70-3
112 Beta-D(+) Glucose - C6H12O6 492-61-5
113 ?-Bisabolene - C15H24 495-61-4
114 Bisabolone - C15H26 495-62-5
115 Arbutin - C12H16O7 497-76-7
116 Carvacrol - C10H14O 499-75-2
117 Resveratrol - C14H12O3 501-36-0
118 p-coumaricacid - C9H8O3 501-98-4
119 Gorlic acid - C18H30O2 502-31-8
120 Citronellic acid - C10H18O2 502-47-6
121 Alpha-Farnesene - C15H24 502-61-4
122 Hexahydrofarnezylacetone - C18H36O 502-69-2
123 Neophytadiene - C20H38 504-96-1
124 Suberic acid - C8H14O4 505-48-6
125 Borneol - C10H18O 507-70-0
126 Oleanic acid - C30H48O3 508-02-1
127 Diosgenin - C27H42O3 512-04-9
128 Taraxerone - C30H49O 514-07-8
129 Beta-Elemene - C15H24 515-13-9
130 Stephanine - C19H19NO3 517-63-5
131 Emodin - C15H10O5 518-82-1
132 Kaempferol - C15H10O6 520-18-3
133 Apigenin - C15H10O5 520-36-5
134 Physcione - C16H12O5 521-61-9
135 Xylopinine - C21H25NO4 523-02-4
136 Beta-Cadinene - C15H24 523-47-7
137 Myricetin - C15H10O8 529-44-2
138 Genistin - C21H20O10 529-59-9
139 Sinapic acid - C11H12O5 530-59-6
140 trans-Ferulic acid - C10H10O4 537-98-4
141 Allicin - C6H10OS2 539-86-6
142 12-Tricosanonoe - C23H46O 540-09-0
143 Glycerol 1-palmitate - C19H38O4 542-44-9
144 Myristic acid - C14H28O2 544-63-8
145 n-Hexadecane - C16H34 544-76-3
146 Lupeol - C30H50O 545-47-1
147 Alpha-Thujone - C10H16O 546-80-5
148 Calophyllolide - C26H24O5 548-27-6
149 Daidzin - C21H20O9 552-66-9
150 Friedelin - C30H50O 559-74-0
151 Terpinen-4-ol - C10H18O 562-74-3
152 Terpinolene - C10H16 586-62-9
153 Diallyl Sulfide - C6H10S 592-88-1
154 n-Octadecane - C18H38 593-45-3
155 1-Triacontanol - C30H62O 593-50-0
156 chrysosplenetin B - C19H18O8 603-56-5
157 Myristicin - C11H12O3 607-91-0
158 n-Octanamide - C8H17NO 629-01-6
159 n-Tridecane - C13H28 629-50-5
160 n-Tetradecane - C14H30 629-59-4
161 n-Pentadecane - C15H32 629-62-9
162 n-Heptadecane - C17H36 629-78-7
163 n-Nonadecane - C19H40 629-92-5
164 n-Triacontane - C30H62 638-68-6
165 Alaternin - C15H10O6 641-90-7
166 alpha-Curcumene - C15H22 644-30-4
167 Bisdodecanoic anhydride - C24H46O3 645-66-9
168 3-Phenyl-2-butanone - C10H12O 769-59-5
169 Stigmast-4-en-3-one - C29H48O 1058-61-3
170 Taraxasterol - C30H50O 1059-14-9
171 Ferulic acid - C10H10O4 1135-24-6
172 Caryophyllene oxide - C15H24O 1139-30-6
173 Tannic acid - C76H52O46 1401-55-4
174 Lupeol acetate - C32H52O2 1617-68-1
175 Lupenone - C30H48O 1617-70-5
176 9-Octadecenoic acid - C18H34O2 2027-47-6
177 Diallyl trisulfide - C6H10S3 2050-87-5
178 Diallyl disulfide - C6H10S2 2179-57-9
179 Taraxerol acetate - C32H52O2 2189-80-2
180 Linoleic acid - C18H32O2 2197-37-7
181 Octadecadienoic acid - C18H32O2 2420-44-2
182 Diallyl tetrasulfide - C6H10S4 2444-49-7
183 Alepric acid - C14H24O2 2519-24-6
184 Miroestrol - C20H22O6 2618-41-9
185 Dioscorine - C13H19NO2 3329-91-7
186 Sabinene - C10H16 3387-41-5
187 Vitexin - C21H20O10 3681-93-4
188 Puerarin - C21H20O10 3681-99-0
189 Trans-beta-ocimene - C10H16 3779-61-1
190 Geranyl acetone - C13H22O 3796-70-1
191 Alpha-Copaene - C15H24 3856-25-5
192 Trans,trans-farnesyl acetate - C17H28O2 4128-17-0
193 Isoorientin - C21H20O11 4261-42-1
194 Strophanolloside - C29H44O10 4336-97-4
195 3-epi-Lupeol - C30H50O 4439-99-0
196 Farnesol - C15H26O 4602-84-0
197 Alpha-Spinasterol acetate - C31H50O2 4651-46-1
198 Beta-Borbonene - C15H24 5208-59-3
199 Beta-Asarone - C12H16O3 5273-86-9
200 Beta-Ecdysterone - C27H44O7 5289-74-7
201 Euasarone - C12H16O3 5353-15-1
202 Citral - C10H16O 5392-40-5
203 D-Limonene - C10H16 5989-27-5
204 Cucurbitacin B - C32H46O8 6199-67-3
205 Cirsimaritin - C17H14O6 6601-62-3
206 Alpha-humulene - C15H24 6753-98-6
207 Gloriosine - C21H23NO6 12/3/7411
208 Phytol - C20H40O 7541-49-3
209 (+)-Dihydrocarvone - C10H16O 7764-50-3
210 alpha-Pinene - C10H16 7785-26-4
211 (1R)-(+)-Alpha-Pinene - C10H16 7785-70-8
212 (-)-Fenchone - C10H16O 7787-20-4
213 Terpineol - C10H18O 8000-41-7
214 Suberin - C15H16O3 8072-95-5
215 Backuchiol - C18H24O 10309-37-2
216 Cedrene - C15H24 11028-42-5
217 Santalol - C15H24O 11031-45-1
218 Mansonin - C31H46O10 11037-26-6
219 3-Carene - C10H16 13466-78-9
220 Marmesin - C14H14O4 13849-08-6
221 Chrysophenold - C18H16O8 14965-20-9
222 Menthol - C10H20O 15356-70-4
223 Germacrene B - C15H24 15423-57-1
224 8-Heptadecene - C17H34 16369-12-3
225 Isocucurbitacin B - C32H46O8 17278-28-3
226 Brucine N-oxide - C23H28N2O6 17301-81-4
227 Proanthocyanidin - C31H28O12 18206-61-6
228 Pelargonidin 3-Glucoside - C21H21ClO10 18466-51-8
229 Loganin - C17H26O10 18524-94-2
230 Stigmast-7-en-3-beta-ol - C29H50O 18525-35-4
231 Suberenol - C15H16O4 18529-47-0
232 Beta-trans-Farnesene - C15H24 18794-84-8
233 Dioscin - C45H72O16 19057-60-4
234 Cardamonin - C16H14O4 19309-14-9
235 Diosmetin-7-O-b-D-glucopyranoside - C22H22O11 20126-59-4
236 Beta-Sesquiphellandrene - C15H24 20307-83-9
237 Camphor - C10H16O 21368-68-3
238 Loganic acid - C16H24O10 22255-40-9
239 1,4-Naphthalenedione, 5,6-dihydroxy-2-methyl- (9CI) - C11H8O4 22273-47-8
240 Demethoxycurcumin - C20H18O5 22608-11-3
241 Torachrysone - C14H14O4 22649-04-3
242 (-)-Alpha-bisabolol - C15H26O 23089-26-1
243 Vicenin - C27H30O15 23666-13-9
244 Orthodene - C15H26O 23978-81-6
245 Germacrene D - C15H24 23986-74-5
246 Rubrofusarin gentiobioside - C27H32O15 24577-90-0
247 (-)-Epiafzelechin - C15H14O5 24808-04-6
248 Bis-demethoxycurcumin - C19H16O4 24939-16-0
249 Crebanine - C20H21NO4 25127-29-1
250 (-)-Alloaromadendrene - C15H24 25246-27-9
251 B-Pinene - C10H16 25719-60-2
252 Myricyl alcohol - C30H62O 28351-05-5
253 2,3-Dihydro-3,5-dihydroxy-6-methyl-4(H)-pyran-4-one - C6H8O4 28564-83-2
254 Orientin - C21H20O11 28608-75-5
255 Chaulmoogric acid - C18H32O2 29106-32-9
256 Corydalmine - C20H23NO4 30413-84-4
257 4-methoxy-1-methyl-2(1H)-quinolone - C11H11NO2 32262-18-3
258 Bicycloelemene - C15H24 32531-56-9
259 Methiin - C4H9NO3S 32726-14-0
260 Beta-Elemene - C15H24 33880-83-0
261 Celastrol - C29H38O4 34157-83-0
262 Alpinetin - C16H14O4 36052-37-6
263 Dehydroroemerine - C17H13NO2 36285-03-7
264 Germacrene D - C15H24 37839-63-7
265 Isovitexin - C21H20O10 38953-85-4
266 Isoshinanolone - C11H12O3 39626-91-0
267 Cirsilineol - C18H16O7 41365-32-6
268 (E)-5-Tetradecene - C14H28 41446-66-6
269 Toralactone - C15H12O5 41743-74-2
270 Schaftoside - C26H28O16 51938-32-0
271 Cuauhtemone - C15H24O3 52483-04-2
272 Methyl pentacosanoate - C26H52O2 55373-89-2
273 Lupinifolin - C25H28O5 55890-27-2
274 Onychine - C13H9NO 58787-04-5
275 Acetic acid 4-allyl-phenyl ester - C11H12O2 61499-22-7
276 Artemisinin - C15H22O5 63968-64-9
277 Diosbulbin D - C19H20O6 66756-57-8
278 Aleprolic acid - C6H8O2 67886-24-2
279 Aurantio-obtusin - C17H14O7 67979-25-3
280 Pinocembrin - C15H12O4 68745-38-0
281 Chrysoobrusin - C19H18O7 70588-06-6
282 (-)-beta-fenchyl acetate - C12H20O2 76109-40-5
283 Physcion diglucoside - C28H32O15 84268-38-2
284 Bergamotenol - C16H28O 88034-74-6
285 Panduratin A - C26H30O4 89837-52-5
286 2,3-Butanediol - C13H17NO2 106449-15-4
287 Cassiaside - C20H20O9 123914-49-8
288 Butin - C15H12O5 492-14-8