Exact Mass: 412.1257
Exact Mass Matches: 412.1257
Found 500 metabolites which its exact mass value is equals to given mass value 412.1257
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Podophyllotoxone
Podophyllotoxone is a lactone and a lignan. Podophyllotoxone is a natural product found in Diphylleia grayi, Podophyllum peltatum, and other organisms with data available. Podophyllotoxone is isolated from the roots of Dysosma versipellis and has anti-cancer activities.Podophyllotoxone is able to inhibit the tubulin polymerization[1]. Podophyllotoxone is isolated from the roots of Dysosma versipellis and has anti-cancer activities.Podophyllotoxone is able to inhibit the tubulin polymerization[1].
Ziprasidone
Ziprasidone (marketed as Geodon, Zeldox) was the fifth atypical antipsychotic to gain FDA approval (February 2001). Ziprasidone is Food and Drug Administration (FDA) approved for the treatment of schizophrenia, and the intramuscular injection form of ziprasidone is approved for acute agitation in schizophrenic patients. Ziprasidone has also received approval for acute treatment of mania associated with bipolar disorder. [Wikipedia] D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AE - Indole derivatives D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent Ziprasidone (CP-88059), an orally active antipsychotic agent, is a combined 5-HT and dopamine receptor antagonist[1]. Ziprasidone mesylate trihydrate has affinities for Rat D2 (Ki=4.8 nM), 5-HT2A (Ki=0.42 nM) and 5-HT1A (Ki=3.4 nM)[1].
Mollicellin C
A member of the class of depsidones that is 11H-dibenzo[b,e][1,4]dioxepine substituted by hydroxy groups at positions 3 and 9, a methoxy group at position 8, methyl groups at positions 1 and 6, a 3-methylbut-2-enoyl group at position 7, an oxo group at position 11 and a formyl group at position 4. Isolated from Chaetomium brasiliense, it exhibits antimalarial and cytotoxic activities.
4-Methylamino-4-de(dimethylamino)anhydrotetracycline
Mollicellin C
Mollicellin C is produced by Chaetomium species and mutagenic mycotoxin. Production by Chaetomium subspecies and mutagenic mycotoxin.
Methylpicraquassioside A
Methylpicraquassioside A is found in herbs and spices. Methylpicraquassioside A is a constituent of Ruta graveolens (rue). Constituent of Ruta graveolens (rue). Methylpicraquassioside A is found in herbs and spices.
Garcimangosone C
Garcimangosone C is found in fruits. Garcimangosone C is a constituent of the dried fruit hulls of Garcinia mangostana (mangosteen). Constituent of the dried fruit hulls of Garcinia mangostana (mangosteen). Garcimangosone C is found in fruits.
O-Deethylated candesartan
O-Deethylated candesartan is only found in individuals that have used or taken Candesartan.O-Deethylated candesartan is a metabolite of Candesartan. O-deethylated candesartan belongs to the family of Biphenyltetrazoles and Derivatives. These are organic compounds containing a biphenyl attached to a tetrazole. A carbon atom of the biphenyl moiety is boned to a carbon or the nitrogen atom of the tetrazole moiety.
(2S,3S,4S,5R)-6-(Benzo[b][1]benzazepine-11-carbonylamino)-3,4,5-trihydroxyoxane-2-carboxylic acid
Methyl (1R,2R)-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
Capmatinib
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor
Patamostat
PYRAOXYSTROBIN
11b,13-Dihydrolactucopicrin
11b,13-dihydrolactucopicrin is a member of the class of compounds known as 1-hydroxy-2-unsubstituted benzenoids. 1-hydroxy-2-unsubstituted benzenoids are phenols that a unsubstituted at the 2-position. 11b,13-dihydrolactucopicrin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 11b,13-dihydrolactucopicrin can be found in chicory, which makes 11b,13-dihydrolactucopicrin a potential biomarker for the consumption of this food product.
Uvarigranol C
CID 24721471 is a natural product found in Uvaria grandiflora with data available.
[3aR-[3aR*,4R*(2S*,3S*),6E,8S*,10E,11aR*]]-2,3,3a,4,5,8,9,11a-Octahydro-8-hydroxy-6,10-dimethyl-3-methylene-2-oxocyclodeca[b]furan-4-yl ester 2-hydroxy-2-(hydroxymethyl)-3-mercapto-butanoic acid
1,2-Dihydro-1,8,10-trihydroxy-2-(2-hydroxypropan-2-yl)-9-(3-methylbut-2-enyl)furo[3,2-a]-xanthen-11-one
cis-12a-Hydroxyrot-2-enonic acid
(2E)-5,7-Dihydroxy-3,6-dimethoxy-4-oxo-2-phenyl-4H-1-benzopyran-8-yl ester 2-methyl-2-butenoic acid
dalcochinin
11beta,13-dihydrolactucopicrin
A sesquiterpene lactone obtained by formal condensation of the carboxy group of 4-hydroxyphenylacetic acid with the 8-hydroxy group of 11beta,13-dihydrolactucin. Found in chicory.
N6-Threonylcarbamoyladenosine
CONFIDENCE standard compound; INTERNAL_ID 308
Bisphenol A bis(3-chloro-2-hydroxypropyl) ether
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 5813
4,6,9-Trihydroxy-2-(1-hydroxy-1-methylethyl)-11-(3-methyl-2-butenyl-)-2,3-dihydro-5H-furo[3,2-b]xanthene-5-one
6abeta,6bbeta,12abeta,12bbeta-Tetrahydro-1,3,7,9-tetramethoxy-6H,12H-cyclobuta[1,2-c:3,4-c]bis[1]benzopyran-6,12-dione
2,3-Di-Me ether,tri-Ac-2,3,4,6,7-Pentahydroxyphenanthrene
4-(Dimethylamino)-1,4,4a,5,12,12a-hexahydro-3,10,11,12a-tetrahydroxy-1,12-dioxo-2-naphthacenecarboxamide
Dihydro-3-(.alpha.-acetoxypiperonyl)-4-piperonyl-2(3H)-furanone
3-[(1,3-Benzodioxole-5-yl)methyl]-4-[(1,3-benzodioxole-5-yl)(acetoxy)methyl]tetrahydrofuran-2-one
8-deacetylcentaurepensin-8-O-(4-hydroxy)tiglate|8-deacylcentaurepensin 8-O-(4-hydroxy)-tiglate|8-desacetylcentaurepensin-8-O-(4-hydroxytiglinate)
5,7,8-trihydroxy-3,6-dimethoxyflavone 8-O-<(E)-2-methyl-2-butenoate>
2-(3-Methoxy-4-acetoxyphenyl)-3-(acetoxymethyl)-7-methoxybenzofuran-5-carbaldehyde
3,5-Dihydroxy-7-(prenyloxy)-8-methoxy-3,4-(methylenebisoxy)flavone
(S)-2-amino-5-((R)-1-carboxy-2-((E)-3-(4-hydroxy-3-methoxy-phenyl)allylthio)ethyl-amino)-5-oxopentanoic acid|N-L-gamma-glutamyl-S-coniferyl-L-cysteine
3-[2,2-bis(7-methoxy-1,3-benzodioxol-5-yl)ethyl]furan-2(5H)-one|peperomin G
1,3,8-Trihydroxy-2-(3-methyl-2-butenyl)-4-(3-methyl-3-hydroxybutanoyl)-9H-xanthene-9-one
4-(3,7-dimethyl-6-hydroxy-2,7-octadienyl)-1,3,5,8-tetrahydroxyxanthone|garcihombronone B
2,3-dimethoxy-5-(2,5-dimethoxy-3,4-methylenedioxyphenyl)-7-methyl-[1,4]-naphthoquinone
1,5,8-Trihydroxy-3-methoxycarbonylmethyl-2-(3-oxopentyl)-9,10-anthraquinone
4-Hydroxy-3-methyl-6,7-(methylenedioxy)-1-(3,4,5-trimethoxyphenyl)-2-naphthoic acid|junaphtoic acid
(2S)-5,7-Dimethoxy-8-(2S-hydroxy-3-methyl-3-butenyl)-3,4-methylenedioxyflavanone
An extended flavonoid that is 3,4-methylenedioxyflavanone substituted by methoxy groups at positions 5 and 7 and a 2-hydroxy-3-methyl-3-butenyl moiety at position 8 (the 2S stereoisomer). Isolated from the stem barks of Pongamia pinnata, it acts as a an inducer of quinone reductase, a phase II enzyme that protects cells against reactive, toxic and potentially carcinogenic species.
8alpha,13-diacetoxy-1alpha,10alpha-1beta,5beta-diepoxygermacra-7(11)en-12-olide
2,3-dimethoxy-6-(2,5-dimethoxy-3,4-methylenedioxyphenyl)-7-methyl-[1,4]-naphthoquinone
5-Benzofuranpropanoic acid, 6-(beta-D-glucopyranosyloxy)-7-methoxy-, methyl ester
(1R,3S,4S,5S,6S,7R,8S)-4beta-(chloromethyl)-3beta,4alpha-dihydroxy-8alpha-(sarracenoyloxy)-1alphaH,5alphaH,6betaH,7alphaH-guai-10(14),11(13)-dien-6,12-olide
Podophyllotoxone
d,l-Isopodophyllotoxone is a natural product found in Dysosma aurantiocaulis, Podophyllum peltatum, and other organisms with data available. Podophyllotoxone is isolated from the roots of Dysosma versipellis and has anti-cancer activities.Podophyllotoxone is able to inhibit the tubulin polymerization[1]. Podophyllotoxone is isolated from the roots of Dysosma versipellis and has anti-cancer activities.Podophyllotoxone is able to inhibit the tubulin polymerization[1].
Picropodophyllone
Picropodopyllotoxone is a natural product found in Juniperus sabina with data available. Picropodophyllone, an aryltetralin lignan, is isolated from leaves of Podophyllum hexandrum, and has antifungal activities[1][2]. Picropodophyllone, an aryltetralin lignan, is isolated from leaves of Podophyllum hexandrum, and has antifungal activities[1][2].
3-[2-(2-hydroxy-4-methoxy-6-methylphenoxy)-4-methoxy-6-methylphenoxy]-5-methylbenzene-1,2-diol
4,7-dimethoxy-3,5-dimethyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
Ziprasidone
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AE - Indole derivatives D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent CONFIDENCE standard compound; INTERNAL_ID 2747 CONFIDENCE standard compound; INTERNAL_ID 8529 Ziprasidone (CP-88059), an orally active antipsychotic agent, is a combined 5-HT and dopamine receptor antagonist[1]. Ziprasidone mesylate trihydrate has affinities for Rat D2 (Ki=4.8 nM), 5-HT2A (Ki=0.42 nM) and 5-HT1A (Ki=3.4 nM)[1].
C19H24O10_5-Benzofuranpropanoic acid, 6-(beta-D-glucopyranosyloxy)-7-methoxy-, methyl ester
C19H24O8S_3-[(11,13-Dihydroxy-4-methyl-2,10-dioxo-1,4,5,6,7,8,9,10-octahydro-2H-3-benzoxacyclododecin-8-yl)sulfanyl]-2-hydroxypropanoic acid
C23H24O7_Benzeneacetic acid, 4-hydroxy-, (3S,3aR,4S,9aS,9bR)-2,3,3a,4,5,7,9a,9b-octahydro-9-(hydroxymethyl)-3,6-dimethyl-2,7-dioxoazuleno[4,5-b]furan-4-yl ester
2,4,18-trihydroxy-15-(3-hydroxy-3-methylbutyl)-7,9,13-trioxapentacyclo[10.8.0.0³,¹⁰.0⁴,⁸.0¹⁴,¹⁹]icosa-1(12),2,5,10,14,16,18-heptaen-20-one
3-[2-(2-hydroxy-4-methoxy-6-methylphenoxy)-4-methoxy-6-methylphenoxy]-5-methylbenzene-1,2-diol [IIN-based on: CCMSLIB00000845017]
3-[2-(2-hydroxy-4-methoxy-6-methylphenoxy)-4-methoxy-6-methylphenoxy]-5-methylbenzene-1,2-diol [IIN-based: Match]
2,4,18-trihydroxy-15-(3-hydroxy-3-methylbutyl)-7,9,13-trioxapentacyclo[10.8.0.0³,¹⁰.0⁴,⁸.0¹⁴,¹⁹]icosa-1(12),2,5,10,14,16,18-heptaen-20-one_major
2,4,18-trihydroxy-15-(3-hydroxy-3-methylbutyl)-7,9,13-trioxapentacyclo[10.8.0.0³,¹?.0?,?.0¹?,¹?]icosa-1(12),2,5,10,14,16,18-heptaen-20-one
Ala Cys Gly Tyr
Ala Cys Tyr Gly
Ala Gly Cys Tyr
Ala Gly Tyr Cys
Ala Tyr Cys Gly
Ala Tyr Gly Cys
Cys Ala Gly Tyr
Cys Ala Tyr Gly
Cys Cys Ser Thr
Cys Cys Thr Ser
Cys Phe Gly Ser
Cys Phe Ser Gly
Cys Gly Ala Tyr
Cys Gly Phe Ser
Cys Gly His Pro
Cys Gly Pro His
Cys Gly Ser Phe
Cys Gly Tyr Ala
Cys His Gly Pro
Cys His Pro Gly
Cys Pro Gly His
Cys Pro His Gly
Cys Ser Cys Thr
Cys Ser Phe Gly
Cys Ser Gly Phe
Cys Ser Thr Cys
Cys Thr Cys Ser
Cys Thr Ser Cys
Cys Tyr Ala Gly
Cys Tyr Gly Ala
Phe Cys Gly Ser
Phe Cys Ser Gly
Phe Gly Cys Ser
Phe Gly Ser Cys
Phe Ser Cys Gly
Phe Ser Gly Cys
Gly Ala Cys Tyr
Gly Ala Tyr Cys
Gly Cys Ala Tyr
Gly Cys Phe Ser
Gly Cys His Pro
Gly Cys Pro His
Gly Cys Ser Phe
Gly Cys Tyr Ala
Gly Phe Cys Ser
Gly Phe Ser Cys
Gly His Cys Pro
Gly His Pro Cys
Gly Pro Cys His
Gly Pro His Cys
Gly Ser Cys Phe
Gly Ser Phe Cys
Gly Tyr Ala Cys
Gly Tyr Cys Ala
His Cys Gly Pro
His Cys Pro Gly
His Gly Cys Pro
His Gly Pro Cys
His Pro Cys Gly
His Pro Gly Cys
Pro Cys Gly His
Pro Cys His Gly
Pro Gly Cys His
Pro Gly His Cys
Pro His Cys Gly
Pro His Gly Cys
Ser Cys Cys Thr
Ser Cys Phe Gly
Ser Cys Gly Phe
Ser Cys Thr Cys
Ser Phe Cys Gly
Ser Phe Gly Cys
Ser Gly Cys Phe
Ser Gly Phe Cys
Ser Thr Cys Cys
Thr Cys Cys Ser
Thr Cys Ser Cys
Thr Ser Cys Cys
Tyr Ala Cys Gly
Tyr Ala Gly Cys
Tyr Cys Ala Gly
Tyr Cys Gly Ala
Tyr Gly Ala Cys
Tyr Gly Cys Ala
O-Deethylated candesartan
Garcimangosone C
Methylpicraquassioside A
T6A [ABBR]
cobalt,(6Z)-6-[[3-[methyl-[3-[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propyl]amino]propylamino]methylidene]cyclohexa-2,4-dien-1-one
Dipyrrolidino(N-succinimidyloxy)carbenium hexafluorophosphate
9,18-DIHYDROBENZO[H]BENZO[7,8]QUINO[2,3-B]ACRIDINE-7,16-DIONE
4-(Benzyloxy)-6-[(benzyloxy)carbonyl]-2-naphthoic acid
Nizofenone
N - Nervous system > N06 - Psychoanaleptics > N06B - Psychostimulants, agents used for adhd and nootropics D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents C26170 - Protective Agent > C1509 - Neuroprotective Agent D020011 - Protective Agents
FMoc-(R)-3-AMino-3-(4-cyano-phenyl)-propionic acid
1-diphenylphosphanylpropan-2-yl(diphenyl)phosphane
(tert-butoxycarbonylmethyl)triphenylphosphonium chloride
(3-Bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)(tert-butyl)dimethylsilane
3-(4-Butoxyphenyl)-7-phenylfuro[2,3-f][1]benzofuran-2,6-dione
4-Methoxyphenyl beta-D-galactopyranoside 2,4,6-triacetate
methyl 3-(4-methylsulfonylphenoxy)-5-phenylmethoxybenzoate
Chitobiose
Chitobiose is a dimer of beta-1,4-linked glucosamine units. There is ambiguity as to which structure the name refers, owing to the method by which it was first isolated. [HMDB]
6a,9a-Difluoro-11b,17a-dihydroxy-16a-methyl-3-oxoandrosta-1,4-diene-17b-carbothioic acid
Pruvanserin hydrochloride
C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist
Dichlorisone
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid
Patamostat
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D015842 - Serine Proteinase Inhibitors C471 - Enzyme Inhibitor > C783 - Protease Inhibitor
O-Desethyl Candesartan
A benzimidazolecarboxylic acid that is candesartan in which the ethoxy group has been replaced by a hydroxy group. It is the inactive metabolite of the anti-hypertensive drug, candesartan.
Austocystin D
An organic heteropentacyclic compound isolated from Aspergillus and Aspergillus ustus and has been shown to exhibit cytotoxic activity. D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins D009676 - Noxae > D011042 - Poisons > D000348 - Aflatoxins
3-(2,5-dimethoxyphenyl)-6-(3,4-dimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(5-ethyl-1,3,4-oxadiazol-2-yl)benzamide
2-Furanyl-[4-(4-phenoxyphenyl)sulfonyl-1-piperazinyl]methanone
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-[methyl-(phenylmethyl)sulfamoyl]benzamide
4-(dipropylsulfamoyl)-N-[5-[(methylthio)methyl]-1,3,4-oxadiazol-2-yl]benzamide
[(2S)-2-Sulfanyl-3-phenylpropanoyl]-gly-(5-phenylproline)
Capmatinib
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor
477-49-6
Podophyllotoxone is isolated from the roots of Dysosma versipellis and has anti-cancer activities.Podophyllotoxone is able to inhibit the tubulin polymerization[1]. Podophyllotoxone is isolated from the roots of Dysosma versipellis and has anti-cancer activities.Podophyllotoxone is able to inhibit the tubulin polymerization[1].
2,4,18-Trihydroxy-15-(3-hydroxy-3-methylbutyl)-7,9,13-trioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),5,11,14,16,18-heptaen-20-one
4-[Bis(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-methylideneoxolan-2-one
(4S,4aS,12aS)-3,10,11,12a-tetrahydroxy-6-methyl-4-(methylamino)-1,12-dioxo-4a,5-dihydro-4H-tetracene-2-carboxamide
1-Phosphono-4-[4-propyl-1,1-biphenyl-4-yl]-1-butanesulfonic acid
(6aS)-6a,12aalpha-Dihydro-2,3-dimethoxy-8-[(E)-3-methyl-4-hydroxy-2-butenyl]-9-hydroxy[1]benzopyrano[3,4-b][1]benzopyran-12(6H)-one
(6aS)-6a,12aalpha-Dihydro-2,3-dimethoxy-8-[(Z)-3-methyl-4-hydroxy-2-butenyl]-9-hydroxy[1]benzopyrano[3,4-b][1]benzopyran-12(6H)-one
methyl (Z)-2-[2-[[5-(4-chlorophenyl)-2-methylpyrazol-3-yl]oxymethyl]phenyl]-3-methoxyprop-2-enoate
1-Benzyl-5-(3,5-dimethylpiperidin-1-yl)sulfonylindole-2,3-dione
3-methyl-2-benzo[g]benzofurancarboxylic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester
2-ethoxy-N-[4-[(4-methyl-2-pyrimidinyl)sulfamoyl]phenyl]benzamide
2-[3-[2-furanyl(oxo)methyl]-1-indolyl]-N-[2-(trifluoromethyl)phenyl]acetamide
2-[[5-(3-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-(9H-fluoren-2-yl)ethanone
Ethyl 4-amino-2-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]pyrimidine-5-carboxylate
N-(2-fluorophenyl)-2-oxo-2-[(2E)-2-{2-[2-oxo-2-(pyrrolidin-1-yl)ethoxy]benzylidene}hydrazinyl]acetamide
4-[[4-(Benzenesulfonyl)-1-piperazinyl]-oxomethyl]-2-methyl-1-phthalazinone
2-[(2-tert-butyl-4-quinazolinyl)thio]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
1-(4-isopropylphenyl)-5-[(2-phenyl-5-pyrimidinyl)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione
1-(4-Fluorophenyl)-2-(4-methoxyphenyl)-4-(2-naphthyl)butane-1,4-dione
1,1,2,2,3,3,4,4,5,5-Decamethyl-1,5-bis((methylthio)methyl)pentasilane
(1S,5R)-7-[4-(2-fluorophenyl)phenyl]-3-[(1-methyl-4-imidazolyl)sulfonyl]-3,6-diazabicyclo[3.1.1]heptane
[(1R,2aS,8bS)-1-(hydroxymethyl)-4-(3-methylphenyl)sulfonyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-cyclopropylmethanone
[(1S,2aR,8bR)-1-(hydroxymethyl)-4-(3-methylphenyl)sulfonyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-cyclopropylmethanone
(6S,7S,8R)-4-(benzenesulfonyl)-8-(hydroxymethyl)-7-[4-[(E)-prop-1-enyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7S,8R)-4-(benzenesulfonyl)-8-(hydroxymethyl)-7-[4-[(E)-prop-1-enyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
[(2R,3R)-1-(benzenesulfonyl)-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]-cyclopropylmethanone
[(1R,2aR,8bR)-1-(hydroxymethyl)-4-(3-methylphenyl)sulfonyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-cyclopropylmethanone
(6R,7R,8R)-4-(benzenesulfonyl)-8-(hydroxymethyl)-7-[4-[(E)-prop-1-enyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7S,8S)-4-(benzenesulfonyl)-8-(hydroxymethyl)-7-[4-[(E)-prop-1-enyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7R,8S)-4-(benzenesulfonyl)-8-(hydroxymethyl)-7-[4-[(E)-prop-1-enyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7R,8S)-4-(benzenesulfonyl)-8-(hydroxymethyl)-7-[4-[(E)-prop-1-enyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7S,8S)-4-(benzenesulfonyl)-8-(hydroxymethyl)-7-[4-[(E)-prop-1-enyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
[(2S,3S)-1-(benzenesulfonyl)-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]-cyclopropylmethanone
[(2S,3R)-1-(benzenesulfonyl)-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]-cyclopropylmethanone
N-(((Cyclopropylmethoxy)imino)(2,3-difluoro-6-(trifluoromethyl)phenyl)methyl)-2-phenylacetamide
3-[2-(2-Hydroxy-4-methoxy-6-methylphenoxy)-4-methoxy-6-methylphenoxy]-5-methylbenzene-1,2-diol
4,7-dimethoxy-3,5-dimethyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
N-[(9-beta-D-ribofuranosylpurin-6-yl)carbamoyl]threonine
An N-(adenosin-N(6)-ylcarbonyl)threonine in which the threonine portion has L-configuration.
desmethylanhydrotetracycline zwitterion
A zwtterion obtained by transfer of a proton from the 2-hydroxy to the secondary amino group of desmethylanhydrotetracycline. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
desmethylanhydrotetracycline
A member of the class of tetracyclines that is anhydrotetracycline in which one of the methyl groups attached to the nitrogen has been replaced by hydrogen.
15-LOX-1 inhibitor 1
15-LOX-1 inhibitor 1 is a potent inhibitor of 15-LOX-1 (15-lipoxygenase-1) with an IC50 value of 0.19 μM. 15-LOX-1 inhibitor 1 protects macrophages from lipopolysaccharide-induced cytotoxicity. 15-LOX-1 inhibitor 1 inhibits NO formation and lipid peroxidation[1].
Chitobiose (dihydrochloride)
Chitobiose dihydrochloride, a chitosan oligosaccharide, is a dimer of β-1,4-linked glucosamine units[1].
NSC45586 (sodium)
NSC45586 sodium is an inhibitor of pleckstrin homology domain and leucine-rich repeat protein phosphatase (PHLPP). NSC45586 sodium targets the PP2C phosphatase domain in PHLPP1 and PHLPP2. NSC45586 sodium can activate AKT in neurons[1].
(3as,4r,8r,11ar)-8-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl (2s,3s)-2-hydroxy-2-(hydroxymethyl)-3-sulfanylbutanoate
1-[(2s,3s)-3,5-dihydroxy-2-(3-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-6-yl]ethanone
(1r,2r,3s)-3,5-dihydroxy-6-(7-methoxy-3-oxo-1h-2-benzofuran-1-yl)-2-methyl-4-oxo-2,3-dihydro-1h-naphthalen-1-yl acetate
5-(1-bromo-2-hydroxyethyl)-3-hydroxy-1a-(hydroxymethyl)-5,7b-dimethyl-1h,1bh,2h,3h,3ah,4h,6h,8h,9ah-cyclopropa[a]phenanthren-9-one
methyl (1r,2r)-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate
(2r)-4,8,9-trihydroxy-2-(2-hydroxypropan-2-yl)-11-(2-methylbut-3-en-2-yl)-2h,3h-furo[3,2-b]xanthen-5-one
2-(1,2-dihydroxyethyl)-7-methoxy-5-methyl-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
(11s,15s,16s)-16-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-triene-10,14-dione
4-(benzylsulfanyl)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,5,7-triol
3-oxo-3-{[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[2-methoxy-4-(prop-2-en-1-yl)phenoxy]oxan-2-yl]methoxy}propanoic acid
1,8,10-trihydroxy-2-(2-hydroxypropan-2-yl)-9-(3-methylbut-2-en-1-yl)-1h,2h-furo[3,2-a]xanthen-11-one
5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7-dimethoxy-8-(3-methylbut-2-en-1-yl)chromen-4-one
(4s)-4-[bis(7-methoxy-2h-1,3-benzodioxol-5-yl)methyl]-3-methylideneoxolan-2-one
(11s,15r)-16-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-triene-10,14-dione
5-[(benzoyloxy)methyl]-4-ethoxy-5,6-dihydroxycyclohex-2-en-1-yl benzoate
4,8,9-trihydroxy-2-(2-hydroxypropan-2-yl)-11-(2-methylbut-3-en-2-yl)-2h,3h-furo[3,2-b]xanthen-5-one
1,4-dimethyl 2-(2h-1,3-benzodioxol-5-ylmethyl)-3-(2h-1,3-benzodioxol-5-ylmethylidene)butanedioate
(3ar,4s,6ar,8s,9s,9as,9bs)-9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-4-yl (2e)-2-(hydroxymethyl)but-2-enoate
1,4-dimethyl (3e)-2-[(3,4-dimethoxyphenyl)methylidene]-3-[(4-methoxyphenyl)methylidene]butanedioate
(8r)-5-hydroxy-3-(4-hydroxy-2,5-dimethoxyphenyl)-8-(hydroxymethyl)-8-methylpyrano[2,3-h]chromen-4-one
(3r)-3,6,8,11-tetrahydroxy-2,2-dimethyl-7-(3-methylbut-2-en-1-yl)-3,4-dihydro-1,10-dioxatetraphen-5-one
11β,13-dihydrolactucopicrin
{"Ingredient_id": "HBIN000358","Ingredient_name": "11\u03b2,13-dihydrolactucopicrin","Alias": "NA","Ingredient_formula": "C23H24O7","Ingredient_Smile": "CC1C2C(CC(=C3C(C2OC1=O)C(=CC3=O)CO)C)OC(=O)CC4=CC=C(C=C4)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41170","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(3s,6 e)-8-hydroxylinalool 3-o-β-d-(3-o-potassium sulfo)glucopyranoside
{"Ingredient_id": "HBIN009681","Ingredient_name": "(3s,6 e)-8-hydroxylinalool 3-o-\u03b2-d-(3-o-potassium sulfo)glucopyranoside","Alias": "NA","Ingredient_formula": "C16H28O10S","Ingredient_Smile": "CC(=CCCC(C)(C=C)OC1C(C(C(C(O1)CO)O)OS(=O)(=O)O)O)CO","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10325","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}