chemical stringlengths 2 67 | plant_species stringclasses 13
values | application stringlengths 4 26 ⌀ | dosage stringclasses 43
values | pubmed_mentions_2026 int64 0 314k | clinical_trials_count_2026 int64 0 551 | chembl_bioactivity_count int64 0 2.87k | patent_count_since_2020 int64 0 21k | pubchem_cid float64 72 135M ⌀ | canonical_smiles stringlengths 2 147 ⌀ |
|---|---|---|---|---|---|---|---|---|---|
12,13-EPOXYOLEIC-ACID | Abelmoschus esculentus | null | null | 0 | 0 | 0 | 0 | 119,250 | CCCCCCCCC1C(O1)CCCCCCCC(=O)O |
2-O-(D-GALACTOPYRANOSYLURONIC-ACID)-L-RHAMOSE | Abelmoschus esculentus | null | null | 0 | 0 | 0 | 0 | null | null |
3,5,3'',4',5-PENTAHYDROXY-7-METHOXYFLAVONOL-5'-DIGLUCOSIDE | Abelmoschus esculentus | null | null | 0 | 0 | 0 | 0 | null | null |
3-METHYL-1-BUTANOL | Abelmoschus esculentus | null | null | 562 | 0 | 0 | 1 | 31,260 | CC(C)CCO |
4-O-BETA-D-GALACTOPYRANOSYL-D-GALACTOSE | Abelmoschus esculentus | null | null | 0 | 0 | 0 | 0 | null | null |
9-HEXADECENOIC-ACID | Abelmoschus esculentus | null | null | 92 | 0 | 0 | 0 | 4,668 | CCCCCCC=CCCCCCCCC(=O)O |
ALANINE | Abelmoschus esculentus | Antioxidant | null | 110,184 | 68 | 48 | 200 | 5,950 | CC(C(=O)O)N |
ALPHA-TERPENYL-ACETATE | Abelmoschus esculentus | null | null | 11 | 0 | 0 | 0 | null | null |
ALPHA-TOCOPHEROL | Abelmoschus esculentus | Anticonvulsant | Synergen | 17,928 | 73 | 615 | 11 | 14,985 | CC1=C(C2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C(=C1O)C)C |
ARABINOSE | Abelmoschus esculentus | null | null | 9,493 | 7 | 0 | 36 | 439,195 | C1C(C(C(C(O1)O)O)O)O |
ARGININE | Abelmoschus esculentus | Antidiabetic? | null | 115,707 | 283 | 167 | 433 | 6,322 | C(CC(C(=O)O)N)CN=C(N)N |
ASCORBIC-ACID | Abelmoschus esculentus | Acidulant | FEMA 6,000 | 42,639 | 0 | 0 | 0 | 9,888,239 | C(C(C1C(C(=O)C(=O)O1)O)O)O |
ASPARTIC-ACID | Abelmoschus esculentus | Antimorphinic | null | 18,865 | 0 | 0 | 0 | 424 | C(C(C(=O)O)N)C(=O)O |
BETA-SITOSTEROL | Abelmoschus esculentus | Androgenic | null | 5,284 | 3 | 334 | 2 | 222,284 | CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C |
CAMPESTEROL | Abelmoschus esculentus | Antioxidant | IC37=10 uM | 1,542 | 0 | 8 | 2 | 173,183 | CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C |
CARBOHYDRATE | Abelmoschus esculentus | null | null | 142,231 | 551 | 0 | 596 | null | null |
CITRAL | Abelmoschus esculentus | Allergenic | null | 1,725 | 0 | 30 | 12 | 638,011 | CC(=CCCC(=CC=O)C)C |
CYANIDIN-3-GLUCOSIDE-4'-GLUCOSIDE | Abelmoschus esculentus | null | null | 0 | 0 | 0 | 0 | null | null |
CYANIDIN-3-SAMBUBIOSIDE | Abelmoschus esculentus | null | null | 66 | 0 | 0 | 0 | 3,084,569 | C1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC4=C(C=C(C=C4[O+]=C3C5=CC(=C(C=C5)O)O)O)O)CO)O)O)O)O)O.[Cl-] |
CYANIDIN-4'-GLUCOSIDE | Abelmoschus esculentus | null | null | 0 | 0 | 0 | 0 | 73,981,555 | C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2O)O)O)O)OC4C(C(C(C(O4)CO)O)O)O |
CYCLOHEXANOL | Abelmoschus esculentus | null | null | 1,120 | 0 | 9 | 18 | 7,966 | C1CCC(CC1)O |
CYSTINE | Abelmoschus esculentus | Adjuvant | null | 12,210 | 2 | 42 | 62 | 67,678 | C(C(C(=O)O)N)SSCC(C(=O)O)N |
ETHANOL | Abelmoschus esculentus | Allergenic | null | 152,547 | 198 | 2,764 | 1,105 | 702 | CCO |
FLAVONOIDS | Abelmoschus esculentus | null | null | 56,675 | 19 | 0 | 80 | null | null |
FOLACIN | Abelmoschus esculentus | AntiSpina-Bifida | null | 238 | 0 | 221 | 0 | 135,398,658 | C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)NC(=N3)N |
GALACTOSE | Abelmoschus esculentus | Sweetener | 0.32 x sucrose | 39,934 | 18 | 32 | 104 | 6,036 | C(C1C(C(C(C(O1)O)O)O)O)O |
GALACTURONIC-ACID | Abelmoschus esculentus | null | null | 2,650 | 0 | 0 | 0 | 84,740 | C(=O)C(C(C(C(C(=O)O)O)O)O)O |
GAMMA-TOCOPHEROL | Abelmoschus esculentus | Antioxidant | 10-15 ug/g | 2,160 | 2 | 9 | 1 | 92,729 | CC1=C(C=C2CCC(OC2=C1C)(C)CCCC(C)CCCC(C)CCCC(C)C)O |
GLUTAMIC-ACID | Abelmoschus esculentus | Antialkali? | 500-1,000 mg/day/orl/man | 28,787 | 0 | 0 | 0 | 33,032 | C(CC(=O)O)C(C(=O)O)N |
GLYCINE | Abelmoschus esculentus | Antiacid | null | 75,125 | 60 | 621 | 285 | 750 | C(C(=O)O)N |
GOSSYPETIN | Abelmoschus esculentus | Antimutagenic | null | 127 | 0 | 65 | 2 | 5,280,647 | C1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)O)O)O)O |
GOSSYPETIN-3-GLUCOSIDE-8-RHAMNOGLUCOSIDE | Abelmoschus esculentus | null | null | 0 | 0 | 0 | 0 | null | null |
GOSSYPETIN-8-GLUCOSIDE | Abelmoschus esculentus | Aldose-Reductase-Inhibitor | null | 1 | 0 | 4 | 0 | 5,281,621 | C1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O)O |
GOSSYPETIN-8-RHAMNOGLUCOSIDE | Abelmoschus esculentus | null | null | 0 | 0 | 0 | 0 | null | null |
GOSSYPOL | Abelmoschus esculentus | Amebicide | null | 2,181 | 11 | 814 | 7 | 3,503 | CC1=CC2=C(C(=C(C(=C2C(C)C)O)O)C=O)C(=C1C3=C(C4=C(C=C3C)C(=C(C(=C4C=O)O)O)C(C)C)O)O |
HISTIDINE | Abelmoschus esculentus | Antiarteriosclerotic | null | 48,975 | 12 | 138 | 177 | 6,274 | C1=C(NC=N1)CC(C(=O)O)N |
ISOBUTYL-ALCOHOL | Abelmoschus esculentus | Irritant | null | 119 | 0 | 0 | 0 | 6,560 | CC(C)CO |
ISOLEUCINE | Abelmoschus esculentus | Antiencephalopathic? | null | 15,905 | 6 | 20 | 95 | 6,306 | CCC(C)C(C(=O)O)N |
KILOCALORIES | Abelmoschus esculentus | null | null | 1,213 | 1 | 0 | 1 | null | null |
LEUCINE | Abelmoschus esculentus | Antiencephalopathic | null | 67,153 | 100 | 108 | 209 | 6,106 | CC(C)CC(C(=O)O)N |
LINOLEIC-ACID | Abelmoschus esculentus | AntiMS | null | 23,108 | 0 | 0 | 0 | 5,280,450 | CCCCCC=CCC=CCCCCCCCC(=O)O |
LYSINE | Abelmoschus esculentus | Antialkalotic | null | 89,966 | 57 | 54 | 435 | 5,962 | C(CCN)CC(C(=O)O)N |
METHIONINE | Abelmoschus esculentus | Anticataract | null | 60,486 | 53 | 121 | 165 | 6,137 | CSCCC(C(=O)O)N |
MUCILAGE | Abelmoschus esculentus | Cancer-Preventive | null | 2,197 | 6 | 0 | 12 | null | null |
MUFA | Abelmoschus esculentus | Allergenic | null | 3,477 | 25 | 0 | 0 | null | null |
MYRISTIC-ACID | Abelmoschus esculentus | Cancer-Preventive | null | 2,397 | 0 | 0 | 0 | 11,005 | CCCCCCCCCCCCCC(=O)O |
NIACIN | Abelmoschus esculentus | Allergenic | null | 6,087 | 137 | 2,545 | 24 | 938 | C1=CC(=CN=C1)C(=O)O |
OLEIC-ACID | Abelmoschus esculentus | Allergenic | null | 21,202 | 0 | 0 | 0 | 445,639 | CCCCCCCCC=CCCCCCCCC(=O)O |
OXALIC-ACID | Abelmoschus esculentus | Antiseptic | null | 4,833 | 0 | 0 | 0 | 971 | C(=O)(C(=O)O)O |
P-TOLUALDEHYDE | Abelmoschus esculentus | null | null | 52 | 0 | 0 | 0 | 7,725 | CC1=CC=C(C=C1)C=O |
PALMITIC-ACID | Abelmoschus esculentus | Antifibrinolytic | null | 13,545 | 0 | 0 | 0 | 985 | CCCCCCCCCCCCCCCC(=O)O |
PALMITOLEIC-ACID | Abelmoschus esculentus | Soap | null | 1,673 | 0 | 0 | 0 | 445,638 | CCCCCCC=CCCCCCCCC(=O)O |
PANTOTHENIC-ACID | Abelmoschus esculentus | Antiallergic | 100-500 mg/day | 2,660 | 0 | 0 | 0 | 6,613 | CC(C)(CO)C(C(=O)NCCC(=O)O)O |
PECTIN | Abelmoschus esculentus | Antiatheromic | 15 g/man/day | 14,116 | 53 | 0 | 122 | 441,476 | C1(C(C(OC(C1O)O)C(=O)O)O)O |
PENTOSANS | Abelmoschus esculentus | null | null | 82 | 0 | 0 | 0 | null | null |
PHENYLALANINE | Abelmoschus esculentus | AntiADD | 587 mg/day/orl | 46,946 | 24 | 254 | 128 | 6,140 | C1=CC=C(C=C1)CC(C(=O)O)N |
PHYLLOQUINONE | Abelmoschus esculentus | Antihemorrhagic | 1 mg ims man | 1,000 | 5 | 94 | 0 | 5,284,607 | CC1=C(C(=O)C2=CC=CC=C2C1=O)CC=C(C)CCCC(C)CCCC(C)CCCC(C)C |
PHYTATE | Abelmoschus esculentus | null | null | 3,685 | 8 | 60 | 10 | 890 | C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O |
PHYTOSTEROLS | Abelmoschus esculentus | Antiprostatotic | null | 3,576 | 11 | 0 | 20 | null | null |
PROLINE | Abelmoschus esculentus | null | null | 54,725 | 14 | 169 | 192 | 145,742 | C1CC(NC1)C(=O)O |
PUFA | Abelmoschus esculentus | AntiMS | null | 17,243 | 80 | 0 | 46 | null | null |
QUERCETIN | Abelmoschus esculentus | 5-Lipoxygenase-Inhibitor | IC50 (uM)=4 | 31,310 | 81 | 2,871 | 73 | 5,280,343 | C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O |
QUERCETIN-3-DIGLUCOSIDE | Abelmoschus esculentus | null | null | 0 | 0 | 0 | 0 | null | null |
QUERCETIN-3-TRIGLUCOSIDE | Abelmoschus esculentus | null | null | 0 | 0 | 0 | 0 | null | null |
QUERCETIN-4'-DIGLUCOSIDE | Abelmoschus esculentus | null | null | 0 | 0 | 0 | 0 | null | null |
QUERCETIN-4'-GLUCOSIDE | Abelmoschus esculentus | Quinone-Reductase-Inducer | 30 uM | 58 | 0 | 0 | 0 | 5,320,844 | C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)OC4C(C(C(C(O4)CO)O)O)O |
QUERCETIN-5-GLUCOSIDE | Abelmoschus esculentus | null | null | 1 | 0 | 0 | 0 | 44,259,222 | C1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C=C(C=C3OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O |
QUERCETIN-5-RHAMNOGLUCOSIDE | Abelmoschus esculentus | null | null | 0 | 0 | 0 | 0 | null | null |
QUERCETIN-7-GLUCOSIDE | Abelmoschus esculentus | null | null | 7 | 0 | 0 | 0 | 5,282,160 | C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O |
RHAMNOSE | Abelmoschus esculentus | null | null | 6,540 | 2 | 0 | 26 | 25,310 | CC1C(C(C(C(O1)O)O)O)O |
RIBOFLAVIN | Abelmoschus esculentus | Antiarabiflavinotic | 2-10 mg/day orl | 13,392 | 111 | 171 | 40 | 493,570 | CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(CO)O)O)O |
SALICYLATES | Abelmoschus esculentus | Antiaggregant | null | 3,298 | 1 | 0 | 7 | 54,675,850 | C1=CC=C(C(=C1)C(=O)O)[O-] |
SERINE | Abelmoschus esculentus | Cancer-Preventive | null | 123,763 | 53 | 79 | 336 | 5,951 | C(C(C(=O)O)N)O |
SFA | Abelmoschus esculentus | null | null | 0 | 31 | 0 | 12 | 5,388,925 | CCC1CC(C2(C(C(C(C(O2)CC(C(C)CCC=CC=C(C)C3CC=CC=CC(C(C(C(C(=O)NC(C(=O)NC(C(=O)N4CCCC(N4)C(=O)O3)CC5=CC(=CC=C5)O)C(C)C)CCC(=O)C)O)C)O)O)C)O)C)NC1=O)C |
STEARIC-ACID | Abelmoschus esculentus | Cosmetic | null | 7,236 | 0 | 0 | 0 | 5,281 | CCCCCCCCCCCCCCCCCC(=O)O |
STIGMASTEROL | Abelmoschus esculentus | Antihepatotoxic | null | 2,855 | 0 | 125 | 3 | 5,280,794 | CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C |
THIAMIN | Abelmoschus esculentus | Analgesic | 1-4 g/day | 3,157 | 5 | 15 | 3 | 1,130 | CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO |
THREONINE | Abelmoschus esculentus | Antioxidant? | null | 51,487 | 4 | 53 | 158 | 6,288 | CC(C(C(=O)O)N)O |
TRYPTOPHAN | Abelmoschus esculentus | Analgesic | 750 mg/4x/day/orl/man | 63,856 | 47 | 301 | 190 | 6,305 | C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N |
TYROSINE | Abelmoschus esculentus | Antidepressant? | null | 222,127 | 86 | 198 | 578 | 6,057 | C1=CC(=CC=C1CC(C(=O)O)N)O |
VALINE | Abelmoschus esculentus | Antiencephalopathic | null | 21,718 | 8 | 57 | 109 | 6,287 | CC(C)C(C(=O)O)N |
VIT-B-6 | Abelmoschus esculentus | null | null | 0 | 0 | 0 | 0 | null | null |
GLYCOLIPIDS | Abelmoschus manihot | null | null | 9,718 | 0 | 0 | 24 | 44,176,376 | CCCCCCCCCCCCCC=CC(C(COP(=O)(O)OCC[N+](C)(C)C)NC=O)O |
MUCILAGE | Abelmoschus manihot | Cancer-Preventive | null | 2,197 | 6 | 0 | 12 | null | null |
PHOSPHOLIPIDS | Abelmoschus manihot | null | null | 61,972 | 11 | 0 | 123 | null | null |
(Z)-5-DODECENYL-ACETATE | Abelmoschus moschatus | null | null | 0 | 0 | 0 | 0 | null | null |
(Z)-5-TETRADECEN-14-OLIDE | Abelmoschus moschatus | null | null | 0 | 0 | 0 | 0 | 21,187,406 | C1CCCCOC(=O)CCCC=CCCC1 |
(Z)-5-TETRADECENYL-ACETATE | Abelmoschus moschatus | null | null | 1 | 0 | 0 | 0 | null | null |
12,13-EPOXYOLEIC-ACID | Abelmoschus moschatus | null | null | 0 | 0 | 0 | 0 | 119,250 | CCCCCCCCC1C(O1)CCCCCCCC(=O)O |
2-TRANS-6-TRANS-FARNESOL | Abelmoschus moschatus | null | null | 0 | 0 | 0 | 0 | null | null |
5-DODECENYL-ACETATE | Abelmoschus moschatus | null | null | 16 | 0 | 0 | 0 | 85,543 | CCCCCCC=CCCCCOC(=O)C |
5-TETRADECEN-14-OLIDE | Abelmoschus moschatus | null | null | 0 | 0 | 0 | 0 | null | null |
5-TETRADECENYL-ACETATE | Abelmoschus moschatus | null | null | 14 | 0 | 0 | 0 | 22,292,273 | CCCCCCCCCCCCC=COC(=O)C |
ACETIC-ACID | Abelmoschus moschatus | Acidulant | null | 61,210 | 1 | 0 | 0 | 176 | CC(=O)O |
ALPHA-CEPHALIN | Abelmoschus moschatus | null | null | 0 | 0 | 0 | 0 | 21,668,201 | CC(=O)OCC(COP(=O)(O)OCCN)OC(=O)C |
AMBRETTOL | Abelmoschus moschatus | null | null | 0 | 0 | 0 | 0 | 3,591,866 | C1CCCCC=CCCCCC(=O)OCCCC1 |
AMBRETTOLIC-ACID | Abelmoschus moschatus | null | null | 0 | 0 | 0 | 0 | 5,282,940 | C(CCCCO)CCCC=CCCCCCC(=O)O |
AMBRETTOLIDE | Abelmoschus moschatus | FLavor | FEMA 0.01-0.7 ppm | 12 | 0 | 0 | 0 | 5,365,703 | C1CCCCOC(=O)CCCCCC=CCCC1 |
BETA-SITOSTEROL | Abelmoschus moschatus | Androgenic | null | 5,284 | 3 | 334 | 2 | 222,284 | CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C |
BETA-SITOSTEROL-BETA-D-GLYCOSIDE | Abelmoschus moschatus | null | null | 0 | 0 | 0 | 0 | 14,521,039 | COC1=CC(=CC(=C1O)OC)C2C(C(CC3=CC(=C(C(=C23)OC)O)OC)CO)COC4C(C(C(CO4)O)O)O |
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