Exact Mass: 322.1137964
Exact Mass Matches: 322.1137964
Found 500 metabolites which its exact mass value is equals to given mass value 322.1137964,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
D-Pantothenoyl-L-cysteine
D-Pantothenoyl-L-cysteine is involved in the pantothenate and CoA biosynthesis pathway. D-Pantothenoyl-L-cysteine can be converted into (R)-4-Phosphopantothenoyl-L-cysteine or Pantetheine by type I pantothenate kinase [EC:2.7.1.33] or [4.1.1.30], respectively. [HMDB] D-Pantothenoyl-L-cysteine is involved in the pantothenate and CoA biosynthesis pathway. D-Pantothenoyl-L-cysteine can be converted into (R)-4-Phosphopantothenoyl-L-cysteine or Pantetheine by type I pantothenate kinase [EC:2.7.1.33] or [4.1.1.30], respectively.
Abyssinone I
A monohydroxyflavanone that is (2S)-2,2-dimethyl-2,3-dihydro-2H,4H-2,6-bichromen-4-one carrying a hydroxy substituent at position 7.
Tetraneurin A
Phaseollin
Isolated from Phaseolus vulgaris (kidney bean) and Vigna unguiculata. Phaseollin is found in many foods, some of which are yellow wax bean, soy bean, pulses, and cowpea. Phaseollin is found in common bean. Phaseollin is isolated from Phaseolus vulgaris (kidney bean) and Vigna unguiculata.
8-(3,3-DMA)chrysin
A dihydroxyflavone that is chrysin substituted by a prenyl group at position 8.
DINITRAMINE
C11H13F3N4O4 (322.08888540000004)
CONFIDENCE standard compound; INTERNAL_ID 169; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4721; ORIGINAL_PRECURSOR_SCAN_NO 4718 CONFIDENCE standard compound; INTERNAL_ID 169; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4717; ORIGINAL_PRECURSOR_SCAN_NO 4714 CONFIDENCE standard compound; INTERNAL_ID 169; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4730; ORIGINAL_PRECURSOR_SCAN_NO 4727 CONFIDENCE standard compound; INTERNAL_ID 169; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4709; ORIGINAL_PRECURSOR_SCAN_NO 4705 CONFIDENCE standard compound; INTERNAL_ID 169; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4727; ORIGINAL_PRECURSOR_SCAN_NO 4726 CONFIDENCE standard compound; INTERNAL_ID 169; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4723; ORIGINAL_PRECURSOR_SCAN_NO 4720
eobavaisoflavoe
Neobavaisoflavone is a member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone with an additonal hydroxy group at position 4 and a prenyl group at position 3. Isolated from seeds of Psoralea corylifolia, it exhibits inhibitory activity against DNA polymerase and platelet aggregation. It has a role as a platelet aggregation inhibitor, an antineoplastic agent, a plant metabolite and an EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor. Neobavaisoflavone is a natural product found in Erythrina sigmoidea, Erythrina latissima, and other organisms with data available. A member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone with an additonal hydroxy group at position 4 and a prenyl group at position 3. Isolated from seeds of Psoralea corylifolia, it exhibits inhibitory activity against DNA polymerase and platelet aggregation. Neobavaisoflavone, a flavonoid, is isolated from the seeds of Psoralea corylifolia. Neobavaisoflavone exhibits anti-inflammatory, anti-cancer and anti-oxidation activities. Neobavaisoflavone inhibits DNA polymerase at moderate to high concentrations. Neobavaisoflavone also inhibits platelet aggregation[1][2][3][4][5]. Neobavaisoflavone, a flavonoid, is isolated from the seeds of Psoralea corylifolia. Neobavaisoflavone exhibits anti-inflammatory, anti-cancer and anti-oxidation activities. Neobavaisoflavone inhibits DNA polymerase at moderate to high concentrations. Neobavaisoflavone also inhibits platelet aggregation[1][2][3][4][5].
N6-cis-p-Coumaroylserotonin
N6-cis-p-Coumaroylserotonin is a member of hydroxyindoles and a carboxamide. It is functionally related to a serotonin. N-Coumaroyl serotonin is a natural product found in Echinochloa esculenta, Centaurea montana, and other organisms with data available. Ipobscurine A is found in fats and oils. Ipobscurine A is an alkaloid from Carthamus tinctorius (safflower). N-(p-Coumaroyl) Serotonin is a polyphenol isolated from the seeds of safflower and has antioxidative, anti-atherogenic and anti-inflammatory properties. N-(p-Coumaroyl) Serotonin inhibits PDGF-induced on phosphorylation of PDGF receptor and Ca2+ release from sarcoplasmic reticulum[1]. N-(p-Coumaroyl) Serotonin ameliorates atherosclerosis and distensibility of the aortic wall in vivo and is usually used for the atherosclerosis research[2]. N-(p-Coumaroyl) Serotonin is a polyphenol isolated from the seeds of safflower and has antioxidative, anti-atherogenic and anti-inflammatory properties. N-(p-Coumaroyl) Serotonin inhibits PDGF-induced on phosphorylation of PDGF receptor and Ca2+ release from sarcoplasmic reticulum[1]. N-(p-Coumaroyl) Serotonin ameliorates atherosclerosis and distensibility of the aortic wall in vivo and is usually used for the atherosclerosis research[2].
Glabrene
Glabrene is an isoflavonoid. Glabrene is a natural product found in Glycyrrhiza glabra and Glycyrrhiza uralensis with data available. See also: Glycyrrhiza Glabra (part of). Glabrene is found in herbs and spices. Glabrene is a constituent of root of Glycyrrhiza glabra (licorice)
Lepidimoic acid
Isolated from seeds of Lepidium sativum (garden cress). Lepidimoic acid is found in garden cress and brassicas. Lepidimoic acid is found in brassicas. Lepidimoic acid is isolated from seeds of Lepidium sativum (garden cress
Avenic acid A
Avenic acid A is found in cereals and cereal products. Avenic acid A is isolated from root washings of Avena sativa (oats Isolated from root washings of Avena sativa (oats). Avenic acid A is found in oat and cereals and cereal products.
2,3-Dihydro-4-(4-methoxyphenyl)-1H-phenalene-1,2,3-triol
2,3-Dihydro-4-(4-methoxyphenyl)-1H-phenalene-1,2,3-triol is found in fruits. 2,3-Dihydro-4-(4-methoxyphenyl)-1H-phenalene-1,2,3-triol is isolated from the rhizomes of Musa acuminata (dwarf banana) infected with Fusarium oxysporum. Isolated from the rhizomes of Musa acuminata (dwarf banana) infected with Fusarium oxysporum. 2,3-Dihydro-4-(4-methoxyphenyl)-1H-phenalene-1,2,3-triol is found in fruits.
Berberrubine
C19H16NO4+ (322.10792760000004)
Berberrubine is found in fruits. Berberrubine is an alkaloid from Berberis vulgaris (barberry
(-)-Shinpterocarpin
(-)-Shinpterocarpin is found in herbs and spices. (-)-Shinpterocarpin is isolated from roots of Glycyrrhiza glabra (licorice).
N2-Galacturonyl-L-lysine
N2-Galacturonyl-L-lysine is found in garden tomato. N2-Galacturonyl-L-lysine is a possible constituent of plant cell walls including tomato and spinach. Possible constituent of plant cell walls including tomato and spinach. N2-Galacturonyl-L-lysine is found in green vegetables and garden tomato.
N6-Galacturonyl-L-lysine
N6-Galacturonyl-L-lysine is found in garden tomato. N6-Galacturonyl-L-lysine is a possible constituent of plant cell walls including tomato and spinach. Possible constituent of plant cell walls including tomato and spinach. N6-Galacturonyl-L-lysine is found in green vegetables and garden tomato.
Flazine methyl ether
Flazine methyl ether is found in blackcurrant. Flazine methyl ether is an alkaloid from freshly pressed juice of blackcurrant (Ribes nigrum)(Grossulariaceae). Alkaloid from freshly pressed juice of blackcurrant (Ribes nigrum)(Grossulariaceae). Flazine methyl ether is found in fruits and blackcurrant. D004791 - Enzyme Inhibitors
Ketophenylbutazone
M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AA - Butylpyrazolidines Ketophenylbutazone belongs to the family of Pyrazolones. These are compounds containing a pyrazole ring which bears a ketone. C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
2-Hydroxyphenylacetic acid glucuronide
(E)-N-[2-(3-Indolyl)ethyl]-3-(3,4-dihydroxyphenyl)acrylamide
(4E)-2-(4-Chlorophenyl)-4-methoxyimino-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol
C15H19ClN4O2 (322.11964639999997)
Dansylsarcosine
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D003619 - Dansyl Compounds
Finrozole
C18H15FN4O (322.12298319999996)
4-[(2R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]butanamide
C13H18N6O4 (322.13894680000004)
groenlandicine
C19H16NO4+ (322.10792760000004)
Groenlandicine is a protoberberine alkaloid isolated from Coptidis Rhizoma. Groenlandicine exhibits moderate inhibitory effect with IC50 value of 154.2 μM for human recombinant aldose reductase (HRAR)[1]. Groenlandicine selectively induces topoisomerase I-mediated DNA cleavage[2]. Groenlandicine is a protoberberine alkaloid isolated from Coptidis Rhizoma. Groenlandicine exhibits moderate inhibitory effect with IC50 value of 154.2 μM for human recombinant aldose reductase (HRAR)[1]. Groenlandicine selectively induces topoisomerase I-mediated DNA cleavage[2].
3K78PYN58P
Licoflavone A is a member of flavones. Licoflavone A is a natural product found in Glycyrrhiza eurycarpa, Glycyrrhiza echinata, and other organisms with data available. See also: Glycyrrhiza inflata root (part of). Licoflavone A is a flavonoid isolated from the roots of Glycyrrhiza uralensis, inhibits protein tyrosine phosphatase-1B (PTP1B), with an IC50 of 54.5 μM[1]. Licoflavone A is a flavonoid isolated from the roots of Glycyrrhiza uralensis, inhibits protein tyrosine phosphatase-1B (PTP1B), with an IC50 of 54.5 μM[1].
D6S8A779IY
Isobavachromene is a natural product found in Millettia ferruginea, Lonchocarpus utilis, and other organisms with data available. 4-Hydroxylonchocarpin is a chalcone compound from an extract of Psoralea corylifolia. 4-Hydroxylonchocarpin increases phosphorylation of p38 MAPK, JNK and ERK. 4-Hydroxylonchocarpin has diverse pharmacological activities, including antibacterial, antifungal, anticancer, antireverse transcriptase, antitubercular, antimalarial, anti-inflammatory and antioxidant activities[1]. 4-Hydroxylonchocarpin is a chalcone compound from an extract of Psoralea corylifolia. 4-Hydroxylonchocarpin increases phosphorylation of p38 MAPK, JNK and ERK. 4-Hydroxylonchocarpin has diverse pharmacological activities, including antibacterial, antifungal, anticancer, antireverse transcriptase, antitubercular, antimalarial, anti-inflammatory and antioxidant activities[1]. Isobavachromene is an antibacterial agent[1]. Isobavachromene is an antibacterial agent[1].
[5aR-(5aalpha,6alpha,8alpha,9abeta,9balpha)]-8-(Acetyloxy)-5,5a,6,7,8,9,9a,9b-octahydro-6-hydroxy-3-(hydroxymethyl)-5a-methyl-9-methylenenaphtho[1,2-b]furan-2(4H)-one
6alpha-Acetoxy-9beta,10beta-epoxy-4alpha-hydroxy-11(13)-guaien-12,8alpha-olide
13-Acetoxy-4alpha,5alpha-epoxy-8alpha-hydroxy-1(10),7(11)-germacratrien-12,6alpha-olide
3-(hydroxymethyl)-3,3,3a-trimethyl-6-oxo-2,3,3a,4,6,7b-hexahydro-1ah-spiro[naphtho[1,2-b]oxirene-5,2-oxiran]-2-yl acetate
14-Acetylthioxyfurodysinin lactone
C17H22O4S (322.12387320000005)
(+)-6-(2-Hydroxy-3-methoxy-3-methylbutyl)-5,7-dimethoxycoumarin
Isoneorautenol
2alpha-Acetoxy-5alpha-hydroperoxyisosphaerantholide
3,4-Didehydroglabridin
3,4-Didehydroglabridin is a natural product found in Glycyrrhiza glabra, Glycyrrhiza uralensis, and Glycyrrhiza inflata with data available.
13-Desacetyl-1alpha-hydroxyafraglaucolide
13-Desacetyl-1beta-hydroxyafraglaucolide
1beta,8alpha-Dihydroxyeremophil-7(11),9-dien-8beta,12-olide
Neorautenol
[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-5-[(Acetyloxy)methyl]-3a,4,6,7,8,8a,9,9a-octahydro-6-hydroperoxy-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Licoflavone A
Licoflavone A is a flavonoid isolated from the roots of Glycyrrhiza uralensis, inhibits protein tyrosine phosphatase-1B (PTP1B), with an IC50 of 54.5 μM[1]. Licoflavone A is a flavonoid isolated from the roots of Glycyrrhiza uralensis, inhibits protein tyrosine phosphatase-1B (PTP1B), with an IC50 of 54.5 μM[1].
7,4-Dihydroxy-8-prenylflavone
Isobavachromene
4-Hydroxylonchocarpin is a chalcone compound from an extract of Psoralea corylifolia. 4-Hydroxylonchocarpin increases phosphorylation of p38 MAPK, JNK and ERK. 4-Hydroxylonchocarpin has diverse pharmacological activities, including antibacterial, antifungal, anticancer, antireverse transcriptase, antitubercular, antimalarial, anti-inflammatory and antioxidant activities[1]. 4-Hydroxylonchocarpin is a chalcone compound from an extract of Psoralea corylifolia. 4-Hydroxylonchocarpin increases phosphorylation of p38 MAPK, JNK and ERK. 4-Hydroxylonchocarpin has diverse pharmacological activities, including antibacterial, antifungal, anticancer, antireverse transcriptase, antitubercular, antimalarial, anti-inflammatory and antioxidant activities[1].
Bavachromene
Bavachromene is a natural product found in Broussonetia papyrifera and Cullen corylifolium with data available.
Neobavaisoflavone
Neobavaisoflavone, a flavonoid, is isolated from the seeds of Psoralea corylifolia. Neobavaisoflavone exhibits anti-inflammatory, anti-cancer and anti-oxidation activities. Neobavaisoflavone inhibits DNA polymerase at moderate to high concentrations. Neobavaisoflavone also inhibits platelet aggregation[1][2][3][4][5]. Neobavaisoflavone, a flavonoid, is isolated from the seeds of Psoralea corylifolia. Neobavaisoflavone exhibits anti-inflammatory, anti-cancer and anti-oxidation activities. Neobavaisoflavone inhibits DNA polymerase at moderate to high concentrations. Neobavaisoflavone also inhibits platelet aggregation[1][2][3][4][5].
Obovatin
A natural product found in Dalea boliviana and Tephrosia.
(1R*,3R*,6R*,7R*,8R*)-3-acetoxy-4,10(14),11(13).trien-6,12-olide
1-[4-[[4-(acetyloxy)-3-methyl-2-butenyl]oxy]-2,6-dihydroxyphenyl]-2-methyl-1-propanone
10-acetoxy-8-hydroxy-9-O-angeloylthmol|8-Hydroxy-10-acetoxythymol 9-O-angelate
2beta-acetoxy-8alpha,13-dihydroxygermacra-1(10),4,7(11)-trien-6alpha,12-olide
8alpha-Acetoxy-3,4-didehydro-4,5-dihydro-5alpha-hydroperoxyosmitopsin
1,2:4,6-Di-O-ethylidene,3-benzyl-alpha-D-Pyranose-Allose
1-Ac-1,4-Dihydroxy-5,16-octadecadiene-8,10,12,14-tetrayn-7-one
4-hydroxyisolonchocarpin|4-hydroxylsolonchocarpin|4-OH-Pseudo-Lonchocarpin|Bavachromene|psorachromene
(1aRS,2aSR,6RS,7aSR,9aRS)-6-(acetyloxy)-2,2a,6,6a,7a,8,9,9a-octahydro-1a,5,7a-trimethylbisoxireno[4,5:8,9]cyclodeca[1,2-b]furan-4(1aH)-one|(3beta,4alpha,6alpha,8beta,9beta,10alpha)-8-(acetyloxy)-3,4:9,10-diepoxygermacr-7(11)-eno-12,6-lactone
1,2-Dihydroxy-3-(4-methylpent-3-en-1-yl)anthracene-9,10-dione
1-hydroxy-5-methoxy-3,6-bis(phenylmethyl)pyrazin-2-(1H)-one|emeheterone
13-acetoxy-1beta,8alpha-dihydroxyeudesma-3,7(13)-dien-6alpha,12-olide
4-Deoxyterphenyllin
A para-terphenyl that is the 4-deoxy derivative of terphenyllin. It has been isolated from Aspergillus taichungensis.
2,3-Dihydro-3,9-dihydroxy-4-(4-hydroxyphenyl)-5-methoxy-1H-phenalene
(E)-1-(2,4-dihydroxyphenyl)-3-(2,2-dimethyl-2H-chromen-6-yl)-2-propen-1-one|Kanzonol B
8alpha-Acetoxy-1,5-didehydro-4,5-dihydro-4alpha-hydroperoxyosmitopsin
13-acetoxy-1beta,8alpha-dihydroxyeudesma-4(15),7(13)-dien-6alpha,12-olide
5-chloro-3-(3,7-dimethylocta-2,6-dienyl)-2,4-dihydroxy-6-methylbenzaldehyde
C18H23ClO3 (322.13356380000005)
13-acetoxy-9beta-hydroxy-1beta,10alpha-epoxygermacra-4,7(11)-dien-6alpha,12-olide
6beta-acetoxy-7beta,8beta-epoxy-1-oxo-10beta,11betaH-eremorphilan-12,8-olide
(E)-1alpha,10beta-epoxy-3beta-acetoxy-6alpha-hydroxygermacra-4,11(13)-dien-12,8alpha-olide|(E)-1??,10??-Epoxy-3??-acetoxy-6??-hydroxygermacra-4,11(13)-dien-12,8??-olide
alpha-D-(Galactopyranuronsaeure)-L-rhamnose-1,2:2,1-dianhydrid|alpha-D-galactopyranuronic acid beta-L-rhamnopyranose 1,2:2,1-dianhydride
11-beta-Hydroxy-12-oxocurvularin|11beta-Hydroxy-12-oxocurvularin|8-beta-hydroxy-7-oxocurvularin
3-<2-(trans-cinnamoylamino)-ethyl>-3-hydroxyindolin-2-one|3-[2-(trans-cinnamoylamino)-ethyl]-3-hydroxyindolin-2-one
5,7-Dimethoxy-8-(3,3-dimethoxyoxiranylmethyl)-2H-1-benzopyran-2-one
2-acetoxy-10beta-hydroxy-3-oxo-eremophila-1,11(13)-dien-12-oic acid
2-(1,4-dihydroxycyclohexyl)ethyl caffeate|2-(cis-1,4-dihydroxycyclohexyl)ethyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
14-acetoxy-4beta,5alpha-epoxydesacetyl laurenobiolide
8-O-acetyl-3,10-dihydroxy-4(15),11(13)-guaiadien-12,6-olide|borenolide
pyranocoumarin
D006401 - Hematologic Agents > D000925 - Anticoagulants > D015110 - 4-Hydroxycoumarins C78275 - Agent Affecting Blood or Body Fluid > C263 - Anticoagulant Agent
N-phenacetyl-L-tryptophan|N-phenylacetyl-L-tryptophan
rel-(4aR,10aR)-4a,10a-dihydro-3,4a,7,10a-tetramethoxydibenzo[b,e][1,4]dioxin-1(4H)-one|sampsone B
2alpha-acetoxy-4alpha,6alpha-dihydroxy-1beta,5alphaH-guai-9(10),11(13)-dien-12,8alpha-olide
A guaiane sesquiterpenoid with anti-inflammatory activity isolated from the aerial parts of Inula hupehensis.
(4RS,4RS)-dihydroxy-(2RS,2RS)-binaphthalene-1,1-dione
(1RS,3aSR,8aSR)-3-(1-hydroxyhexyl)-3a-methyl-3a,8a-dihydro-3H,4H,5H-benzo[1,2-b;4,5-c]difuran-2,4,5-trione|annulohypoxyboverin
1S,2R,3R,4S-2-[(benzoyloxy)methyl]cyclohex-5-ene-1,2,3,4-tetrol 3-acetate
1S,2R,3R,4S-2-[(benzoyloxy)methyl]cyclohex-5-ene-1,2,3,4-tetrol 4-acetate
1-(5,8-dihydroxy-2,2-dimethyl-2h-1-benzopyran-6-yl)-3-phenyl-2-propen-1-one
3,11(R)-dihydroxy-2-methoxy-1,17-oxo-7,13-diphenyl-7,9,12-heptanetriene|ostryopsitrienol
12,16-epoxy-17(15?16),18(4?3)-diabeo-abieta-3,5,8,11,13-pentaene-7,11,14-trione|trichotomone H
1beta,3beta-dihydroxy-13-acetoxy-eudesma-4(15),7(11)-dien-12,6alpha-olide
6beta-acetoxy-1beta,10alpha-dihydroxyeremophil-7(11),8-diene-12,8-olide
(2Z)-8,9-dihydro-2-(4-hydroxybenzylidene)-7,7-dimethyl-7H-furo[2,3-f]chromen-3(2H)-one|damaurone D
(+)-(3R,4R,5S,6S,7R,8S)-8-acetoxy-3,4-dihydroxyguai-1(10),11(13)-dien-6,12-olide|argyinolide G
2,3-O-Benzylidene,1,5-Di-O-Ac(R-)-beta-D-Furanose-Ribose
1,2-Dihydro-1-hydroxy-2-(1,2,3-trihydroxy-3-methylbuty)-8H-furo[2,3h]-1-benzopyran-8-one
3-methyl-1-[4-(2-pyridin-3-yl-oxazol-5-yl)-phenoxy]-butan-2-one|Halfordinon|Halfordinone|Halfovdinon
1,8-dihydroxynaphthol 1-O-alpha-glucopyranoside|naphthalene-1,8-diol-1-O-alpha-D-glucopyranoside
Eupomaten|Eupomatene|eupomatenoid-1|Eupomatenoide-3
10-acetoxy-8,10-dehydro-9-isobutyryloxy-6-methoxy-thymol
2alpha-acetoxy-6alpha-hydroxy-4alpha,5beta-epoxygermacra-1(10)E,11(13)-dien-12,8alpha-olide
8-methoxy-1-naphthalenol-6-O-alpha-D-ribofuranoside
2-methyl-4-[2,4,6-trihydroxy-3-(2-methyl-propanoyl)phenyl]but-2-enyl acetate
5alpha,6alpha-epoxy-2alpha-acetoxy-4alpha-hydroxy-1beta,7alpha-guaia-11(13)-en-12,8alpha-olide
(+)-(1R,2S,5R,6S)-2,6-di-(4-hydroxyphenyl)-3,7-dioxabicyclo[3.3.0]octane
(7,14-dioxo-5,7,12,14-tetrahydro-phthalazino[2,3-b]phthalazin-5-yl)-urea|7-Ureido-phthalazino<2,3-b>phthalazin-5,12(7H,14H)-dion
(E)-1-(L-cystein-S-yl)-N-hydroxy-omega-(methylsulfanyl)nonan-1-imine
ACon1_000459
8-prenyldaidzein is a 7-hydroxyisoflavone that is daidzein in which the aromatic hydrogen at position 8 has been replaced by a prenyl group. It has a role as a plant metabolite. It is a member of 7-hydroxyisoflavones, a polyphenol and an olefinic compound. It is functionally related to a daidzein. 8-Prenyldaidzein is a natural product found in Erythrina sigmoidea, Erythrina variegata, and other organisms with data available. A 7-hydroxyisoflavone that is daidzein in which the aromatic hydrogen at position 8 has been replaced by a prenyl group.
Phaseolin_(pterocarpan)
Phaseolin is a natural product found in Erythrina abyssinica, Erythrina suberosa, and other organisms with data available.
5-O-Cinnamoylquinic acid
(E)-5-O-Cinnamoylquinic acid is the isomer of 5-O-Cinnamoylquinic acid. 5-O-Cinnamoylquinic acid is a co-pigment. 5-O-Cinnamoylquinic acid could form the stable blue solution to clarify the mechanism of blue sepal-color development of hydrangea[1][2].
4,6-dihydroxy-3-(3-hydroxy-2,5-dimethylphenoxy)-5-methoxy-2,5-dimethylcyclohex-2-en-1-one
7-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]chromen-4-one
C17H22O6_[3,8-Dihydroxy-6,9-bis(methylene)-2-oxododecahydroazuleno[4,5-b]furan-3-yl]methyl acetate
C17H22O6_11,13-Dihydroxy-8-methoxy-4-methyl-4,5,6,7,8,9-hexahydro-2H-3-benzoxacyclododecine-2,10(1H)-dione
13,15-dihydroxy-9-methoxy-5-methyl-4-oxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-3,11-dione
4,6-dihydroxy-3-(3-hydroxy-2,5-dimethylphenoxy)-5-methoxy-2,5-dimethylcyclohex-2-en-1-one
7-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]chromen-4-one [IIN-based on: CCMSLIB00000848834]
4,6-dihydroxy-3-(3-hydroxy-2,5-dimethylphenoxy)-5-methoxy-2,5-dimethylcyclohex-2-en-1-one [IIN-based: Match]
7-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]chromen-4-one [IIN-based: Match]
4,6-dihydroxy-3-(3-hydroxy-2,5-dimethylphenoxy)-5-methoxy-2,5-dimethylcyclohex-2-en-1-one_major
4,6-dihydroxy-3-(3-hydroxy-2,5-dimethylphenoxy)-5-methoxy-2,5-dimethylcyclohex-2-en-1-one_25.9\\%
Cys Gly Gly Ser
C10H18N4O6S (322.09470080000006)
Cys Gly Ser Gly
C10H18N4O6S (322.09470080000006)
Cys Ser Gly Gly
C10H18N4O6S (322.09470080000006)
Gly Cys Gly Ser
C10H18N4O6S (322.09470080000006)
Gly Cys Ser Gly
C10H18N4O6S (322.09470080000006)
Gly Gly Cys Ser
C10H18N4O6S (322.09470080000006)
Gly Gly Ser Cys
C10H18N4O6S (322.09470080000006)
Gly Ser Cys Gly
C10H18N4O6S (322.09470080000006)
Gly Ser Gly Cys
C10H18N4O6S (322.09470080000006)
Ser Cys Gly Gly
C10H18N4O6S (322.09470080000006)
Ser Gly Cys Gly
C10H18N4O6S (322.09470080000006)
Ser Gly Gly Cys
C10H18N4O6S (322.09470080000006)
Chileninone
C19H16NO4+ (322.10792760000004)
avenic acid A
N6-cis-p-Coumaroylserotonin
Shinpterocarpin
2,3-Dihydro-4-(4-methoxyphenyl)-1H-phenalene-1,2,3-triol
Kebuzone
M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AA - Butylpyrazolidines C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
4,6-Dihydroxy-3-(3-hydroxy-2,5-dimethylphenoxy)-5-methoxy-2,5-dimethyl-2-cyclohexen-1-one
BENZYL 2,6-DIAZASPIRO[3.3]HEPTANE-2-CARBOXYLATE OXALATE
(R)-2-[[2-(4-nitrophenyl ethyl] aMino]-1-phenyl ethanol Monohydrochloride
3-PHENYL-1-(PYRIDIN-2-YL)BENZO[4,5]FURO[3,2-C]PYRIDINE
(3R,6S)-3-amino-6-(2,3-difluorophenyl)-1-(2,2,2-trifluoroethyl)azepan-2-one
C14H15F5N2O (322.11044799999996)
(2S,4S)-PROPYL 6-FLUORO-2,5-DIOXOSPIRO[CHROMAN-4,4-IMIDAZOLIDINE]-2-CARBOXYLATE
5-(2,3-DIHYDRO-BENZO[1,4]DIOXIN-6-YL)-2-PHENYL-2H-PYRAZOLE-3-CARBOXYLIC ACID
1-ethyl-3-(4-methoxyanilino)-4-phenylpyrrole-2,5-dione
1-FLUORO-4-HYDROXY-1,4-DIAZONIABICYCLO[2.2.2]OCTANE BIS(TETRAFLUOROBORATE)
C6H13B2F9N2O (322.10702159999994)
3-(2,4-dimethoxyphenyl)-7-(trifluoromethyl)-1H-indazole
Vinyl Tris(Trimethylsiloxy)Silane
C11H30O3Si4 (322.12719500000003)
2-[4-NITRO-2-(TRIFLUOROMETHYL)PHENYL]-1,2,3,4-TETRAHYDROISOQUINOLINE
Methyl 4-hydroxy-6,7-dimethoxy-5-(methoxymethoxy)-2-naphthoate
6-Fluoro-N-{[(2-methyl-2-propanyl)oxy]carbonyl}tryptoph
Acetamide,N,N-(9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)bis-
3-(10-(2-CARBOXY-ETHYL)-ANTHRACEN-9-YL)-PROPIONIC ACID
BW-723C86
BW-723C86 is a potent and a selective 5-HT2B receptor agonist. BW-723C86 exhibits anxiolytic-like actions. BW-723C86 also causes hyperphagia and reduced grooming in rats[1][2][3].
Glyhexamide
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C97936 - Sulfonylurea Antidiabetic Agent
3-[(4-methoxyphenyl)methyl]-6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
3-(4-CYANO-BENZENESULFONYL)-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
2-[3-(Ethoxycarbonyl)piperidin-1-yl]-5-nitrobenzoic acid
1,3-DI-O-ACETYL-2-DEOXY-5-O-BENZOYL-L-ERYTHRO-PENTOFURANOSE
4-(3-ethoxycarbonylpiperidin-1-yl)-3-nitrobenzoic acid
1-(METHYLSULFONYL)-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRROLO[2,3-B]PYRIDINE
C14H19BN2O4S (322.11585240000005)
3-(2-CYANO-BENZENESULFONYL)-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
3-(3-CYANO-BENZENESULFONYL)-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
4-(2,4-DIMETHYLPHENYL)-1-MERCAPTO[1,2,4]TRIAZOLO[4,3-A]QUINAZOLIN-5(4H)-ONE
Spiro[2H-1-benzopyran-2,2-[2H]indole],1,3-dihydro-1,3,3-trimethyl-6-nitro-
5-O-Benzoyl-1,2-di-O-acetyl-3-deoxy-D-ribofuranose
1-Fluoro-4-hydroxy-1,4-diazoniabicyclo[2,2,2]octane bis(tetrafluoroborate)
C6H13B2F9N2O (322.10702159999994)
2-Benzoyl-1-cyano-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
2-Acetamido-4,6-O-benzylidene-2-deoxy-D-gluconhydroximo-1,5-lactone
4-(2,3-DIMETHYLPHENYL)-1-MERCAPTO[1,2,4]TRIAZOLO[4,3-A]QUINAZOLIN-5(4H)-ONE
3-(1,3-difluoropropan-2-yloxy)-5-phenylmethoxybenzoic acid
4-[(1R,2R)-3-(4-Fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl]benzonitrile
C18H15FN4O (322.12298319999996)
3,3-Dimethyl-6-((2,2-dimethyl-1-oxopropyl)amino)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid monosodium salt
C13H19N2NaO4S (322.09631740000003)
Thiourea, N-[4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-N-(2-methylpropyl)- (9CI)
N,N-(9,10-dihydro-9,10-dioxo-1,8-anthracenediyl)bisacetamide
(2-Fluorophenyl)(1-piperazinyl)methanone trifluoroacetate (1:1)
C13H14F4N2O3 (322.09405019999997)
4-([(3-DIMETHYLAMINO-PROPYL)-METHYL-AMINO]-METHYL)-BENZOIC ACID DIHYDROCHLORIDE
C14H24Cl2N2O2 (322.12147439999995)
(4-fluorophenyl)(2-(piperazin-1-yl)pyrimidin-5-yl)methanone hydrochloride
2-CHLORO-N-(4-(PYRIDIN-4-YLMETHYL)PHENYL)BENZAMIDE
N-methoxy-N-methyl-4-(quinolin-2-ylmethoxy)benzamide
2,8-Diazaspiro[4.5]decan-1-one, 2-[[4-(methylsulfonyl)phenyl]methyl]
2-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]benzoic acid
1,3,3-TRIMETHYLSPIRO-8-NITRO(2H-1-BENZOPYRAN)-2,2-INDOLINE
Urea, N-(4-((2S,5S)-5-((4-fluorophenoxy)methyl)tetrahydro-2-furanyl)-3-butyn-1-yl)-N-hydroxy-
Zolazepam hydrochloride
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
(E)-N-[2-(3-Indolyl)ethyl]-3-(3,4-dihydroxyphenyl)acrylamide
p-(3-(p-Fluorophenyl)-2-hydroxy-1-(1H-1,2,4-triazol-1-yl)propyl)benzonitrile
C18H15FN4O (322.12298319999996)
(4E)-2-(4-Chlorophenyl)-4-methoxyimino-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol
C15H19ClN4O2 (322.11964639999997)
Strobilurin B
An enoate ester that is the methyl ester of (2E,3Z,5E)-6-(4-chloro-3-methoxyphenyl)-2-(methoxymethylene)-3-methylhexa-3,5-dienoic acid. D010575 - Pesticides > D005659 - Fungicides, Industrial > D000073739 - Strobilurins D016573 - Agrochemicals
P-Fluoro Nygerone B
C19H15FN2O2 (322.11175019999996)
A member of the class of 4-pyridones that is nygerone B in which the N-phenyl substituent has been fluorinated at the para position. It has been isolated from Aspergillus niger ATCC 1015.
8-(4-Aminophenyl)-2-(4-morpholinyl)-1-benzopyran-4-one
1-Methyl-5-((4-methylpiperidin-1-yl)sulfonyl)indoline-2,3-dione
3-[3-Oxo-4-(2-phenylethyl)-3,4-dihydroquinoxalin-2-yl]propanoic acid
4-(1,3-Benzodioxol-5-ylhydrazinylidene)-5-imino-1-phenyl-3-pyrazolamine
4-[[1-Oxo-2-(3-oxo-2-thiomorpholinyl)ethyl]amino]benzoic acid ethyl ester
2-Amino-3-(5-tert-butyl-3-(phosphonomethoxy)-4-isoxazolyl)propionic acid
C11H19N2O7P (322.09298340000004)
2,3-Dimethoxy-12H-[1,3]dioxolo[5,6]indeno[1,2-C]isoquinolin-6-ium
C19H16NO4+ (322.10792760000004)
D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059004 - Topoisomerase I Inhibitors D004791 - Enzyme Inhibitors
(2Z)-2-cyano-N-(3-ethoxybiphenyl-4-yl)-3-hydroxybut-2-enamide
3-(Hydroxymethyl)-1-methyl-5-(2-methylaziridin-1-yl)-2-phenyl-1h-indole-4,7-dione
N6-cis-p-Coumaroylserotonin
Constituent of dried Amorphophallus konjac (devils tongue). Nb-cis-p-Coumaroylserotonin is found in root vegetables. Ipobscurine A is found in fats and oils. Ipobscurine A is an alkaloid from Carthamus tinctorius (safflower).
(2S)-2-amino-4-(hydroxymethylphosphinyl)butanoyl-L-alanyl-L-alanine
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
2-O-(4-deoxy-beta-L-threo-hex-4-enopyranuronosyl)-alpha-L-rhamnopyranose
(2S)-4-[[(1S)-1-carboxy-3-hydroxypropyl]amino]-2-[(3-carboxy-3-hydroxypropyl)amino]butanoic acid
2-amino-3-[(E)-N-hydroxy-C-(8-methylsulfanyloctyl)carbonimidoyl]sulfanylpropanoic acid
[(3S,4R)-4-(6-methylheptanoyl)-5-oxooxolan-3-yl]methyl dihydrogen phosphate
[(3S,4R)-4-octanoyl-5-oxooxolan-3-yl]methyl dihydrogen phosphate
(Z)-2-cyano-3-(3,4-dihydroxyphenyl)-N-(3-phenylpropyl)prop-2-enamide
[3-carboxy-2-[(E)-2,3-dihydroxy-5-methylsulfanylpent-4-enoyl]oxypropyl]-trimethylazanium
O-(N-acetyl-alpha-D-galactosaminyl)-L-threonine
A L-threonine derivative that is N-acetyl-alpha-D-galactosamine linked via an alpha glycosidic bond to the O at position 3 of L-threonine.
2-(2-furanyl)-N-(2-oxolanylmethyl)-4-quinolinecarboxamide
10-acetoxy-8-hydroxy-9-O-angeloylthmol
A natural product found in Eupatorium cannabinum subspecies asiaticum.
4-(3-methoxyphenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazoline-2-thione
C19H18N2OS (322.11397780000004)
5-(3,5-dimethylpiperidin-1-yl)sulfonyl-1H-indole-2,3-dione
4-[(1S,2R)-3-(4-fluorophenyl)-2-hydroxy-1-(1H-1,2,4-triazol-1-yl)propyl]benzonitrile
C18H15FN4O (322.12298319999996)
8-Acetoxy-4,10-dihydroxy-2,11(13)-guaiadiene-12,6-olide
A sesquiterpene lactone and an organic heterotricyclic compound that is 2,3,3a,4,5,6,6a,9,9a,9b-decahydroazuleno[4,5-b]furan substituted by an acetoxy group at position 4, hydroxy groups at positions 6 and 9, methyl groups at positions 6 and 9, a methylidene group at position 3 and an oxo group at position 2. It is a guaianolide isolated from Chrysanthemum boreale and has been shown to exhibit cytotoxic activity against human cancer cell lines.
1-Ethyl-2-[[(1-methyl-2-benzimidazolyl)thio]methyl]benzimidazole
C18H18N4S (322.12521080000005)
(2Z)-2-(4-Methoxyphenyl)-2-(quinazolin-4-ylhydrazinylidene)acetic acid
[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]thiourea
angelol-J
A member of the class of coumarins that is 7-methoxycoumarin in which the hydrogen at position 6 has been replaced by a 1-ethoxy-2,3-dihydroxy-3-methylbutyl group (the R,R stereoisomer). Originally isolated from the roots of Angelica pubescens, angelol J shows strong inhibitory effects on human platelet aggregation.
N-[3-(3-benzyl-2,5-dioxopyrrolidin-1-yl)phenyl]acetamide
3-methyl-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]butanamide
5-hydroxy-asperentin-8-O-methylether
A member of the class of isocoumarins that is asperentin-8-O-methylether substituted by a hydroxy group at position 5. It has been isolated from Chaetomium globosum and Aspergillus flavus.
N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-propanesulfonamide
[2-(5-Methyl-2-thiophenyl)-4-quinolinyl]-(1-pyrrolidinyl)methanone
C19H18N2OS (322.11397780000004)
6,7-dimethoxy-3-(2-oxolanylmethyl)-2-sulfanylidene-1H-quinazolin-4-one
2-[[5-(Phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetonitrile
(3-Methyl-1-phenyl-5-thieno[2,3-c]pyrazolyl)-(3-methyl-1-pyrazolyl)methanone
2-hydroxy-N-[(E)-(6-methyl-4-oxo-4H-chromen-3-yl)methylidene]benzohydrazide
(2R,2R,4R,4R)-4,4-dihydroxy-3,3,4,4-tetrahydro-2,2-binaphthalene-1,1(2H,2H)-dione
A ring assembly that consists of two units of 4-hydroxy-3,4-dihydronaphthalen-1(2H)-one joined at their C-2 position. It has been isolated from the roots of Rubia yunnanensis.
Bauhinoxepin A
An organic heterotetracyclic compound that is 3H-chromeno[6,5-b][1]benzoxepine substituted by geminal methyl groups at position 3, a single methyl group at position 5 and hydroxy groups at positions 6 and 11. It is isolated from the roots of Bauhinia saccocalyx and exhibits antimycobacterial activity.
(E)-2-(((quinolin-8-ylmethylene)amino)oxy)butyl methanesulfonate
(2S,3R,4S)-3,4-dihydroxy-2-[(2S,3R,4R,5R,6S)-2,4,5-trihydroxy-6-methyloxan-3-yl]oxy-3,4-dihydro-2H-pyran-6-carboxylic acid
3-O-(N-acetyl-beta-D-glucosaminyl)-L-threonine
An O-glycosyl-L-threonine having N-acetyl-beta-D-glucosaminyl as the glycosyl component.
4-[(1S,2S)-3-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl]benzonitrile
C18H15FN4O (322.12298319999996)
[(3S)-4-(6-methylheptanoyl)-5-oxooxolan-3-yl]methyl phosphate
A butan-4-olide that is (5-oxooxolan-3-yl)methyl phosphate carrying an additional 6-methylheptanoyl substituent at position 4.
1-(4-Hydroxy-3-methoxyphenyl)-7-phenyl-5-hydroxy-1,4,6-heptatriene-3-one
S-[N-hydroxy-9-(methylsulfanyl)nonanimidoyl]-L-cysteine
Anti-4,5,6,8-tetrafluoro-12,14,16-trimethyl(2.2)metacyclophane
2,4,7-Triacetoxy-5-isopropyl-2,4,6-cycloheptatrien-1-one
N-(indole-3-acetyl)phenylalanine
An indoleacetic acid amide conjugate obtained by formal condensation of the carboxy group of indole-3-acetic acid with the amino group of phenylalanine.
3,4-dihydroxy-2-(2,4,5-trihydroxy-6-methyloxan-3-yl)oxy-3,4-dihydro-2H-pyran-6-carboxylic acid
S-[9-(methylthio)nonylhydroximoyl]-L-cysteine
An S-substituted L-cysteine in which the thiol hydrogen of L-cysteine has been replaced by a 9-(methylthio)nonylhydroximoyl group.
Adenosine receptor antagonist 3
Adenosine receptor antagonist 3 is a potent antagonist of adenosine receptor. Adenosine receptor antagonist 3 has the potential for the research of cancer disease (extracted from patent WO2019233994A1, compound 1)[1].
VU0453595
C18H15FN4O (322.12298319999996)
VU0453595 is a highly selective, systemically active M1 positive allosteric modulator (PAM, EC50=2140?nM) for the research of schizophrenia[1][2].
(4r,4ar,5r,6s,9ar)-4,9a-dihydroxy-3,4a,5-trimethyl-2-oxo-4h,5h,6h,7h,8h-naphtho[2,3-b]furan-6-yl acetate
5-[(7r)-6,7-dimethyl-2h,7h,8h-naphtho[2,3-d][1,3]dioxol-5-yl]-2h-1,3-benzodioxole
(11r)-11-hydroxy-16-methoxy-5,7-dioxa-13λ⁵-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁵,²⁰]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-13-ylium
[C19H16NO4]+ (322.10792760000004)