Exact Mass: 568.2116
Exact Mass Matches: 568.2116
Found 484 metabolites which its exact mass value is equals to given mass value 568.2116
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
SN38 glucuronide
SN38 glucuronide is a metabolite of irinotecan. Irinotecan is a drug used for the treatment of cancer. Irinotecan prevents DNA from unwinding by inhibition of topoisomerase 1. In chemical terms, it is a semisynthetic analogue of the natural alkaloid camptothecin. Its main use is in colon cancer, in particular, in combination with other chemotherapy agents. This includes the regimen FOLFIRI, which consists of infusional 5-fluorouracil, leucovorin, and irinotecan. Irinotecan received accelerated approval by the U.S. (Wikipedia)
y-Morphine
D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids y-Morphine is an alkaloid from opium poppies and opiu
Citrusin B
Isolated from lemon (Citrus limon) and the round kumquat (Fortunella japonica). Citrusin B is found in lemon, citrus, and fruits. Citrusin B is found in citrus. Citrusin B is isolated from lemon (Citrus limon) and the round kumquat (Fortunella japonica).
cis-Mulberroside A
cis-Mulberroside A is found in fruits. cis-Mulberroside A is a constituent of Morus alba (white mulberry)
Asticolorin C
Asticolorin C is a mycotoxin of Aspergillus multicolo
Musabalbisiane C
Musabalbisiane C is found in fruits. Musabalbisiane C is a constituent of Musa balbisiana. Constituent of Musa balbisiana. Musabalbisiane C is found in fruits.
Phloretin xylosyl-galactoside
Phloretin xylosyl-galactoside is a polyphenol compound found in foods of plant origin (PMID: 20428313)
Piceatannol 3,4'-diglucoside
Piceatannol 3,4-diglucoside is found in green vegetables. Piceatannol 3,4-diglucoside is a constituent of Rheum undulatum (rhubarb). Constituent of Rheum undulatum (rhubarb). Piceatannol 3,4-diglucoside is found in green vegetables.
Indacaterol-8-O-glucuronide
Indacaterol-8-O-glucuronide is a metabolite of indacaterol. Indacaterol is an ultra-long-acting beta-adrenoceptor agonist developed by Novartis. It was approved by the European Medicines Agency (EMA) under the trade name Onbrez on November 30, 2009, and by the United States Food and Drug Administration (FDA), under the trade name Arcapta Neohaler, on July 1, 2011. It needs to be taken only once a day, unlike the currently available formoterol and salmeterol. (Wikipedia)
Mulberroside A
Phloretin-2'-O-(2'-O-xylosylglucoside)
Phloretin-2-o-(2-o-xylosylglucoside) is a member of the class of compounds known as flavonoid o-glycosides. Flavonoid o-glycosides are compounds containing a carbohydrate moiety which is O-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone. Phloretin-2-o-(2-o-xylosylglucoside) is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Phloretin-2-o-(2-o-xylosylglucoside) can be found in apple, apricot, and pear, which makes phloretin-2-o-(2-o-xylosylglucoside) a potential biomarker for the consumption of these food products.
Mulberroside_A
Cis-Mulberroside A is a glycoside and a stilbenoid. Mulberroside A is a natural product found in Morus lhou, Schoenocaulon officinale, and other organisms with data available. Mulberroside A is one of the main bioactive constituent in mulberry (Morus alba L.)[1]. Mulberroside A decreases the expressions of TNF-α, IL-1β, and IL-6 and inhibits the activation of NALP3, caspase-1, and NF-κB and the phosphorylation of ERK, JNK, and p38, exhibiting anti-inflammatory antiapoptotic effects[2]. Mulberroside A shows inhibitory activity against mushroom tyrosinase with an IC50 of 53.6 μM[3]. Mulberroside A is one of the main bioactive constituent in mulberry (Morus alba L.)[1]. Mulberroside A decreases the expressions of TNF-α, IL-1β, and IL-6 and inhibits the activation of NALP3, caspase-1, and NF-κB and the phosphorylation of ERK, JNK, and p38, exhibiting anti-inflammatory antiapoptotic effects[2]. Mulberroside A shows inhibitory activity against mushroom tyrosinase with an IC50 of 53.6 μM[3].
Orbiculin E
A dihydroagarofuran sesquiterpenoid that consists of dihydro-beta-agarofuran substituted by acetoxy group at positions 1 and 2, a benzoyloxy group at position 9 and furoyloxy groups at position 6 (the 1beta,2beta,9alpha,6alpha). Isolated from Celastrus orbiculatus, it exhibits inhibition of both NF-kappaB activation and nitric oxide production.
Bismorphine B
D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids
Mulberroside A
Mulberroside A is one of the main bioactive constituent in mulberry (Morus alba L.)[1]. Mulberroside A decreases the expressions of TNF-α, IL-1β, and IL-6 and inhibits the activation of NALP3, caspase-1, and NF-κB and the phosphorylation of ERK, JNK, and p38, exhibiting anti-inflammatory antiapoptotic effects[2]. Mulberroside A shows inhibitory activity against mushroom tyrosinase with an IC50 of 53.6 μM[3]. Mulberroside A is one of the main bioactive constituent in mulberry (Morus alba L.)[1]. Mulberroside A decreases the expressions of TNF-α, IL-1β, and IL-6 and inhibits the activation of NALP3, caspase-1, and NF-κB and the phosphorylation of ERK, JNK, and p38, exhibiting anti-inflammatory antiapoptotic effects[2]. Mulberroside A shows inhibitory activity against mushroom tyrosinase with an IC50 of 53.6 μM[3].
5-methoxy-3-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-3H-benzo[f][2]benzofuran-1-one
(E)-2,3,5,4-tetrahydroxystilbene-2-O-(6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside)|2,3,5,4-Tetrahydroxystilbene-2-O-(6-O-??-D-glucopyranosyl)-??-D-glucopyranoside
rel-(1??,2??)-Di-(2,6-dimethoxy-4-hydroxy)-benzoyl-rel-(3??,4??)-diphenylcyclobutane|rel-1alpha,2beta-di-(2,6-dimethoxy-4-hydroxy)benzoyl-(3alpha,4beta)-diphenylcyclobutane
4-hydroxymethyl-2-methoxyphenyl 1-O-beta-D-[5-O-(4-hydroxybenzoyl)]apiofuranosyl-(1->6)-beta-D-glucopyranoside
5??,17??-Dihydroxy-6??,7??-epoxy-1-oxo-3??-O-sulfate-witha-24-enolide
(1R,2S,3S,4S,5S,6R,7R,9S,10R)-2-Acetoxy-1,9-dibenzoyloxy-3,4,6-trihydroxy-dihydro-beta-agarofuran
4alpha,7beta,9alpha,10beta-tetraacetoxy-1beta,5alpha,13alpha-trihydroxy-2alpha,20beta-epoxy-tax-11-ene|taiwantaxin D
(7R,8S)-erythro-guaiacylglycerol-beta-O-4-sinapyl ether 9-O-beta-D-glucopyranoside
2alpha,7beta,9alpha,10beta-tetraacetoxy-5alpha,12-dihydroxy-11,12-secotax-4(20)-ene-11,13-dione|taxusecone
3,4-dimethoxyphenyl 1-O-beta-D-[5-O-(4-hydroxybenzoyl)]apiofuranosyl-(1->6)-beta-D-glucopyranoside|3,4-Dimethoxyphenyl 1-O-??-D-[5-O-(4-hydroxybenzoyl)]-apiofuranosyl-(1鈥樏傗垎6)-??-D-glucopyranoside
(E)-2,3,5,4-tetrahydroxystilbene-2-O-(4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside)
(7S,8R)-guaiacylglycerol-8-O-4-sinapyl ether 9-O-beta-D-glucopyranoside
(E)-2,3,5,4-tetrahydroxystilbene-2-O-beta-D-glucopyranosyl-4-O-alpha-D-glucopyranoside
(E)-2,3,5,4-tetrahydroxystilbene-2-O-beta-D-glucopyranosyl-5-O-alpha-D-glucopyranoside
(-)-(7S,8R)-4-hydroxy-3-methoxyphenylglyceryl 9-O-b-D-[6-O-(E)-4-hydroxy-3,5-dimethoxyphenylpropenoyl]glucopyranoside
3,5-bis(3-methyl-2-butenyl)-4-O-[beta-D-glucopyranosyl-(1?2)-alpha-L-arabinopyranosyl]benzoic acid
(E)-2,3,5,4-tetrahydroxystilbene-2-O-(2-O-beta-D-fructofuranosyl-beta-D-glucopyranoside)
5-methoxy-8-hydroxy-(+)-isolariciresinol-4-O-beta-D-glucopyranoside
4-benzoyl-2-C-beta-D-glucopyranosyl-3,5-dihydroxy-6-methylphenyl beta-D-glucopyranoside
2-benzoyloxymethyl-4-hydroxyphenyl-1-oxy-O-beta-D-glucopyranosyl-(1->3)-1-O-beta-D-glucopyranoside|symconoside B
2,3-dihydro-3beta-O-sulfate withaferin A|2,3-dihydrowithaferin A 3beta-O-sulfate|2,3-dihydrowithaferin A-3b-O-sulfate|2,3-dihydrowithaferin A-3beta-O-sulfate
(E)-2,3,5,4-tetrahydroxystilbene-2,3-di-O-beta-D-glucoside|2,3,5,4-Tetrahydroxystilbene-2,3-O-??-D-glucoside
Me ester-1-Hydroxy-2-[2,3,3a,6-tetrahydro-7-hydroxy-4-(1-hydroxy-1-methylethyl)-2-methyl-6-oxo-6H-benzo[h]pyrano[3,4,5-de]-1-benzopyran-2-yl]naphtho[1,2-b]furan-4-carboxylic acid
2-benzoyloxymethyl-4-hydroxyphenyl-1-oxy-O-beta-D-glucopyranosyl-(1->6)-1-O-beta-D-glucopyranoside|symconoside A
phloretin 2-O-beta-D-xylopyranosyl-(1->6)-beta-D-glucopyranoside|phloretin-2-beta-D-xylosyl-(1->6)-beta-D-glucoside
eriobioside|methyl (1S*,4aR*,7S*)-1-[(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-1,4a,5,6,7,7a-hexahydro-4a,7-dihydroxy-7-methylcyclopenta[c]pyran-4-carboxylate
3-O-beta-D-(4-p-cumaryl)-Glukosid von Pterolacton A
(7S*,8R*,7R*,8S*)icariol A2-9-O-beta-xylopyranoside|icariol A2 9-O-beta-D-xylopyranoside
cis-Mulberroside A
beta-D-Glucopyranoside 3-[(1Z)-2-[4-(beta-D-glucopyranosyloxy)-2-hydroxyphenyl]ethenyl]-5-hydroxyphenyl is a natural product found in Morus alba with data available.
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-hydroxy-4,4,6,6-tetramethyl-2-(2-methylprop-1-enyl)-3,5-dioxocyclohexyl]oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
C26H32O14_Cyclopenta[c]pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a,7-dihydroxy-6-[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-7-methyl-, methyl ester, (1S,4aR,6S,7R,7aS)
C26H32O14_3-{(E)-2-[4-(beta-D-Glucopyranosyloxy)-2-hydroxyphenyl]vinyl}-5-hydroxyphenyl beta-D-glucopyranoside
C26H32O14_Methyl 1-(hexopyranosyloxy)-5,6-dihydroxy-7-({[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]oxy}methyl)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
C26H32O14_Naphtho[2,3-c]furan-1(3H)-one, 4-[(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-5-methoxy-3-methyl
methyl (1S,4aR,6S,7R,7aS)-4a,7-dihydroxy-6-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
5-methoxy-3-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-3H-benzo[f][2]benzofuran-1-one_major
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Phloretin xylosyl-galactoside
Asticolorin C
Oxymorphine
D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids
Musabalbisiane C
Citrusin B
Piceatannol 3,4'-diglucoside
eleuthoside B
Formocortal
S - Sensory organs > S01 - Ophthalmologicals > S01B - Antiinflammatory agents > S01BA - Corticosteroids, plain C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid
2-((e)-2-(2-chloro-3-[(e)-2-(1,3,3-trimethyl-1,3-dihydro-2h-indol-2-ylidene)ethylidene]-1-cyclopenten-1-yl)ethenyl)-1,3,3-trimethyl-3h-indolium perchlorate
benzyl 6-methoxy-3,4,5-tris(phenylmethoxy)oxane-2-carboxylate
9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium ethyl sulphate
1,1-DIBUTYL-3,3,3,3-TETRAMETHYLINDOCARBOCYANINE IODIDE
Ponatinib hydrochloride
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor > C93259 - VEGFR Tyrosine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163790 - Flt-3-targeting Agent C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163953 - VEGFR-targeting Agent C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C164037 - PDGFR-targeting Agent C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163999 - cKIT-targeting Agent C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C159198 - c-KIT Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C164035 - FGFR-targeting Agent C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C155727 - FGFR Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C159438 - RET Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C155700 - BCR-ABL Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors D000970 - Antineoplastic Agents
N-[(3R)-1-[7-(2-Butyn-1-yl)-2,3,6,7-tetrahydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-2,6-dioxo-1H-purin-8-yl]-3-piperidinyl]-2,2,2-trifluoroacetamide
(R)-4-oxide-2,6-bis[4-(4-methoxyphenyl)--8,9,10,11,12,13,14,15-octahydro-4-hydroxydinaphtho[2,1-d:1,2-f][1,3,2]dioxaphosphepin
ITMN 4077
ITMN 4077 is a macrocyclic inhibitor against Hepatitis C Virus (HCV) NS3 protease (EC50: 2131 nM)[1][2].
benzene-1,3-dicarboxylic acid,butane-1,4-diol,2,3-dimethylterephthalic acid,hexane-1,6-diol
2,3-dihydro-3beta-O-sulfate withaferin A
A withanolide that is 2,3-dihydrowithaferin A substituted by a sulfoxy group at position 3. Isolated from Physalis longifolia, it exhibits antineoplastic activity.
Lamiidoside
Descarbamoylnovobiocin(1-)
An organic anion obtained by selective deprotonation of the 4-hydroxy group on the chromene ring of descarbamoylnovobiocin.
(4R,7S,7aR,12bS)-11-[(4R,7S,7aR,12bS)-7,9-dihydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-11-yl]-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol
(2S)-2-[(4S,5R)-5-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-8-(2-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2S)-2-[(4R,5S)-5-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-8-(2-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
3-[[[(4S,5S)-8-(3-cyclopentylprop-1-ynyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl-methylamino]methyl]benzoic acid
3-[[[(4R,5R)-8-(3-cyclopentylprop-1-ynyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl-methylamino]methyl]benzoic acid
1-[[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-9-(methanesulfonamido)-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
1-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-9-(methanesulfonamido)-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
1-[[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-9-(methanesulfonamido)-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
1-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-9-(methanesulfonamido)-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
1-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(1-naphthalenyl)urea
1-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(1-naphthalenyl)urea
1-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(1-naphthalenyl)urea
(2S)-2-[(4R,5R)-5-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-8-(2-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(1R)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1-[(1-methyl-4-imidazolyl)sulfonyl]-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]carboxamide
1-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-9-(methanesulfonamido)-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
1-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(1-naphthalenyl)urea
1-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(1-naphthalenyl)urea
1-[[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-9-(methanesulfonamido)-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
1-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(1-naphthalenyl)urea
1-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(1-naphthalenyl)urea
1-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-9-(methanesulfonamido)-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
(2R)-2-[(4S,5S)-5-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-8-(2-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2R)-2-[(4S,5R)-5-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-8-(2-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2R)-2-[(4R,5S)-5-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-8-(2-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(1S)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1-[(1-methyl-4-imidazolyl)sulfonyl]-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]carboxamide
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-hydroxy-4,4,6,6-tetramethyl-2-(2-methylprop-1-enyl)-3,5-dioxocyclohexyl]oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
Pseudomorphine
D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids
methyl (4aR,6S,7R,7aS)-4a,7-dihydroxy-6-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
ND-646
ND-646 is an orally bioavailable and steric inhibitor of acetyl-CoA carboxylase (ACC) with IC50s of 3.5 nM and 4.1 nM for recombinant hACC1 and hACC2, respectively.
(2s,3r,4r,5s,6r)-2-{4-[(1s,2s)-1,3-dihydroxy-2-{4-[(1e)-3-hydroxyprop-1-en-1-yl]-2,6-dimethoxyphenoxy}propyl]-2-methoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
methyl (1r,2s,7r,8s,9s)-8-[(2r)-2-[(2r)-2-hydroxy-5-oxo-2h-furan-3-yl]-2-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl]-2,8-dimethyl-10-oxo-11-oxatricyclo[7.2.1.0²,⁷]dodec-3-ene-3-carboxylate
(1s,2r,4s,5r,6r,7s,9r,12s)-4,5-bis(acetyloxy)-7-(benzoyloxy)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-12-yl furan-3-carboxylate
4-(acetyloxy)-5-(benzoyloxy)-2,3,12-trihydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
(2s,3r,4s,5s,6r)-2-{[2-hydroxy-3-(3-methylbut-2-en-1-yl)-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}naphthalen-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
8-{10,14-dihydroxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0¹,¹³.0⁵,¹⁷.0⁷,¹⁸]octadeca-7(18),8,10,15-tetraen-8-yl}-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0¹,¹³.0⁵,¹⁷.0⁷,¹⁸]octadeca-7(18),8,10,15-tetraene-10,14-diol
2-{[2-hydroxy-3-(3-methylbut-2-en-1-yl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}naphthalen-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
methyl 8-[2-(2-hydroxy-5-oxo-2h-furan-3-yl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl]-2,8-dimethyl-10-oxo-11-oxatricyclo[7.2.1.0²,⁷]dodec-3-ene-3-carboxylate
ethyl 2-{4,9,11,19,19-pentamethyl-5,10,21,24-tetraoxo-2,6,18,25-tetraoxaheptacyclo[12.10.1.1¹,⁸.0³,⁷.0¹⁴,²³.0¹⁶,²⁰.0¹¹,²⁶]hexacosa-16(20),22-dien-17-yl}acetate
methyl 6-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-5-hydroxy-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-carboxylate
(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl 2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoate
[(1s,2r,3r,4r,7s,8e,12s,13s,14s,16r,17r)-12,14,16-tris(acetyloxy)-2,3-dihydroxy-4,13,17-trimethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-9-yl]methyl acetate
6,16,24-trihydroxy-8,22-bis(hydroxymethyl)-3,27,29-trimethyl-11,15,19-trioxaoctacyclo[14.14.1.0²,¹⁴.0⁴,¹².0⁵,¹⁰.0¹⁸,²⁶.0²⁰,²⁵.0²⁷,³¹]hentriaconta-2,4(12),5(10),6,8,13,18(26),20,22,24,29-undecaen-17-one
[12,14,16-tris(acetyloxy)-2,3-dihydroxy-4,13,17-trimethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-9-yl]methyl acetate
(6-hydroxy-15-{1-[5-(hydroxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl}-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadecan-5-yl)oxidanesulfonic acid
methyl 5-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-6-hydroxy-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-carboxylate
(11r,14r,17s)-11-benzyl-4-[(2s)-butan-2-yl]-14-(hydroxymethyl)-17-methyl-19-oxa-6-thia-3,10,13,16,21,22-hexaazatricyclo[16.2.1.1⁵,⁸]docosa-1(20),2,5(22),7,9,12,15,18(21)-octaene-2,9,12,15-tetrol
(1r,2s,3s,5s,8r,9r,10r,11s,13r,16s)-2,8,11-tris(acetyloxy)-5,9-dihydroxy-3-(2-hydroxypropan-2-yl)-6,10-dimethyl-14-oxatetracyclo[8.6.0.0³,⁷.0¹³,¹⁶]hexadec-6-en-16-yl acetate
methyl 2-(5-hydroxy-2-oxo-5h-furan-3-yl)-6a,10b-dimethyl-4-oxo-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,4ah,5h,6h,9h,10h,10ah-naphtho[2,1-c]pyran-7-carboxylate
(2r,3r,4s,5s,6r)-2-{[(1s,2r,3s)-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
7,8,10-tris(acetyloxy)-2,4,12-trihydroxy-5,9,17,17-tetramethyl-15-oxatetracyclo[7.6.1.1²,⁶.0¹³,¹⁶]heptadec-5-en-13-yl acetate
(1s,2s,3s,4r,5r,6r,7s,9r,12r)-4-(acetyloxy)-5-(benzoyloxy)-2,3,12-trihydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
methyl 4a,7-dihydroxy-6-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,5h,6h,7ah-cyclopenta[c]pyran-4-carboxylate
10-deacetyl-10-glycolylbaccatin iv
{"Ingredient_id": "HBIN000080","Ingredient_name": "10-deacetyl-10-glycolylbaccatin iv","Alias": "NA","Ingredient_formula": "C28H40O12","Ingredient_Smile": "CC1=C2C(C(C3(C(CC4C(C3C(C2(CC1O)C(C)(C)O)OC(=O)C)(CO4)OC(=O)C)OC(=O)C)C)OC(=O)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "4743","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1β-hydroxy-2α,7β-deacetylbaccatin i
{"Ingredient_id": "HBIN002399","Ingredient_name": "1\u03b2-hydroxy-2\u03b1,7\u03b2-deacetylbaccatin i","Alias": "NA","Ingredient_formula": "C28H40O12","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9959","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2,3,5,4'-tetrahydroxystilbene-2,3-o-β-d-digluco-side
{"Ingredient_id": "HBIN003903","Ingredient_name": "2,3,5,4'-tetrahydroxystilbene-2,3-o-\u03b2-d-digluco-side","Alias": "NA","Ingredient_formula": "C26H32O14","Ingredient_Smile": "C1=CC(=CC=C1C=CC2=CC(=CC(=C2OC3C(C(C(C(O3)CO)O)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21143","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2,3,5,4'-tetrahydroxystilbene-2,3-o-beta-d-glucoside
{"Ingredient_id": "HBIN003904","Ingredient_name": "2,3,5,4'-tetrahydroxystilbene-2,3-o-beta-d-glucoside","Alias": "NA","Ingredient_formula": "C26H32O14","Ingredient_Smile": "C1=CC(=CC=C1C=CC2=CC(=CC(=C2OC3C(C(C(C(O3)CO)O)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "32044","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2,3,5,4'-tetrahydroxystilbene-2-o-(6''-o-alpha-d-glucopyranosyl)-beta-d-glucopyranoside
{"Ingredient_id": "HBIN003906","Ingredient_name": "2,3,5,4'-tetrahydroxystilbene-2-o-(6''-o-alpha-d-glucopyranosyl)-beta-d-glucopyranoside","Alias": "2,3,5,4'-tetrahydroxystilbene-2-o-(6''-o-\u03b1-d-glucopyranosyl)-\u03b2-d-glucopyranoside","Ingredient_formula": "C26H32O14","Ingredient_Smile": "C1=CC(=CC=C1C=CC2=CC(=CC(=C2OC3C(C(C(C(O3)COC4C(C(C(C(O4)CO)O)O)O)O)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "32042;21140","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3,4-dimethoxyphenyl1-o-β-d-[5-o-(4-hydroxybenzoyl)]-apiofura-nosyl-(1→6)-β-d-glucopyranoside
{"Ingredient_id": "HBIN007437","Ingredient_name": "3,4-dimethoxyphenyl1-o-\u03b2-d-[5-o-(4-hydroxybenzoyl)]-apiofura-nosyl-(1\u21926)-\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C26H32O14","Ingredient_Smile": "COC1=C(C=C(C=C1)OC2C(C(C(C(O2)COC3C(C(CO3)(COC(=O)C4=CC=C(C=C4)O)O)O)O)O)O)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6285","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4-O-β-D-glucopyranosyloxybenzoic acid
{"Ingredient_id": "HBIN010748","Ingredient_name": "4-O-\u03b2-D-glucopyranosyloxybenzoic acid","Alias": "NA","Ingredient_formula": "C26H32O14","Ingredient_Smile": "C1=CC=C(C(=C1)COC(=O)C2=CC=CC=C2OC3C(C(C(C(O3)CO)O)O)O)OC4C(C(C(C(O4)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "39750","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4-O-β-D-glucopyranosyloxybenzoic acid methyl ester
{"Ingredient_id": "HBIN010749","Ingredient_name": "4-O-\u03b2-D-glucopyranosyloxybenzoic acid methyl ester","Alias": "NA","Ingredient_formula": "C26H32O14","Ingredient_Smile": "C1=CC=C(C(=C1)COC(=O)C2=CC=CC=C2OC3C(C(C(C(O3)CO)O)O)O)OC4C(C(C(C(O4)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "32796","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5α,17α-dihydroxy-6α,7α-epoxy-1-oxo-3β-o-sulfate-witha-24-enolide
{"Ingredient_id": "HBIN011373","Ingredient_name": "5\u03b1,17\u03b1-dihydroxy-6\u03b1,7\u03b1-epoxy-1-oxo-3\u03b2-o-sulfate-witha-24-enolide","Alias": "NA","Ingredient_formula": "C28H40O10S","Ingredient_Smile": "CC1=C(C(=O)OC(C1)C(C)C2(CCC3C2(CCC4C3C5C(O5)C6(C4(C(=O)CC(C6)OS(=O)(=O)O)C)O)C)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5878","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7,9-deacetylbaccatin iv
{"Ingredient_id": "HBIN013001","Ingredient_name": "7,9-deacetylbaccatin iv","Alias": "NA","Ingredient_formula": "C28H40O12","Ingredient_Smile": "CC1=C2C(C(C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C)O)OC(=O)C)(CO4)OC(=O)C)O)C)O)OC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "4722","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
amritoside c
{"Ingredient_id": "HBIN015911","Ingredient_name": "amritoside c","Alias": "NA","Ingredient_formula": "C27H36O13","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1086","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}