Exact Mass: 340.13106700000003
Exact Mass Matches: 340.13106700000003
Found 500 metabolites which its exact mass value is equals to given mass value 340.13106700000003,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
8-Prenylnaringenin
Sophoraflavanone B is a trihydroxyflavanone that is (S)-naringenin having a prenyl group at position 8. It has a role as a platelet aggregation inhibitor and a plant metabolite. It is a trihydroxyflavanone, a member of 4-hydroxyflavanones and a (2S)-flavan-4-one. It is functionally related to a (S)-naringenin. It is a conjugate acid of a sophoraflavanone B(1-). 8-Prenylnaringenin is a natural product found in Macaranga conifera, Macaranga denticulata, and other organisms with data available. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens A trihydroxyflavanone that is (S)-naringenin having a prenyl group at position 8. INTERNAL_ID 2299; CONFIDENCE Reference Standard (Level 1) CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2299
(S)-4',5,7-Trihydroxy-6-prenylflavanone
6-prenylnaringenin is a trihydroxyflavanone having a structure of naringenin prenylated at C-6. It has a role as a T-type calcium channel blocker. It is a trihydroxyflavanone, a member of 4-hydroxyflavanones and a (2S)-flavan-4-one. It is functionally related to a (S)-naringenin. 6-Prenylnaringenin is a natural product found in Macaranga denticulata, Wyethia angustifolia, and other organisms with data available. (S)-4,5,7-Trihydroxy-6-prenylflavanone is found in alcoholic beverages. (S)-4,5,7-Trihydroxy-6-prenylflavanone is isolated from Humulus lupulus (hops). Isolated from Humulus lupulus (hops). 6-Prenylnaringenin is found in beer and alcoholic beverages. (2S)-6-Prenylnaringenin is the most efficient compound in forebrain. (2S)-6-Prenylnaringenin acts as a GABAA positive allosteric modulator at α+β- binding interface[1]. (2S)-6-Prenylnaringenin is the most efficient compound in forebrain. (2S)-6-Prenylnaringenin acts as a GABAA positive allosteric modulator at α+β- binding interface[1]. (2S)-6-Prenylnaringenin is the most efficient compound in forebrain. (2S)-6-Prenylnaringenin acts as a GABAA positive allosteric modulator at α+β- binding interface[1].
Diphacinone
B - Blood and blood forming organs > B01 - Antithrombotic agents > B01A - Antithrombotic agents > B01AA - Vitamin k antagonists C78275 - Agent Affecting Blood or Body Fluid > C263 - Anticoagulant Agent
Desmethylxanthohumol
Desmethylxanthohumol is a member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 4, 2, 4, and 6 and a 3-methylbut-2-en-1-yl group at position 3. It has a role as a plant metabolite. It is a member of chalcones and a 2-acyl-4-prenylphloroglucinol. It is functionally related to a trans-chalcone. It is a conjugate acid of a desmethylxanthohumol(1-). Desmethylxanthohumol is a natural product found in Helichrysum dregeanum, Humulus lupulus, and other organisms with data available. A member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 4, 2, 4, and 6 and a 3-methylbut-2-en-1-yl group at position 3. Desmethylxanthohumol is found in alcoholic beverages. Desmethylxanthohumol is a constituent of Humulus lupulus (hops) D006133 - Growth Substances > D043924 - Angiogenesis Modulating Agents D000970 - Antineoplastic Agents > D020533 - Angiogenesis Inhibitors D006133 - Growth Substances > D006131 - Growth Inhibitors
5-Deoxykievitone
Isolated from pods of Phaseolus vulgaris (kidney bean) and Phaseolus mungo (mung bean). 5-Deoxykievitone is found in many foods, some of which are common bean, green bean, mung bean, and gram bean. 5-Deoxykievitone is found in common bean. 5-Deoxykievitone is isolated from pods of Phaseolus vulgaris (kidney bean) and Phaseolus mungo (mung bean).
alpha1-2 Fucosidase
C13H24O10 (340.13694039999996)
Glepidotin B
A trihydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 3, 5 and 7 and a prenyl group at position 8 respectively.
Glyceollidin II
Phytoalexin from Glycine max (soybean). Glyceollidin II is found in soy bean, fats and oils, and pulses. Glyceollidin II is found in fats and oils. Phytoalexin from Glycine max (soybean).
(S)-4',5,7-Trihydroxy-3'-prenylflavanone
(S)-4,5,7-Trihydroxy-3-prenylflavanone is found in herbs and spices. (S)-4,5,7-Trihydroxy-3-prenylflavanone is a constituent of Glycyrrhiza glabra (licorice)
Licocoumarone
Licocoumarone is found in herbs and spices. Licocoumarone is isolated from roots of Glycyrrhiza uralensis (Chinese licorice). Isolated from roots of Glycyrrhiza uralensis (Chinese licorice). Licocoumarone is found in herbs and spices.
Glyceollidin I
Phytoalexin from Glycine max (soybean). Glyceollidin I is found in soy bean and pulses. Glyceollidin I is found in pulses. Phytoalexin from Glycine max (soybean).
Morachalcone A
Morachalcone A is found in breadfruit. Morachalcone A is a constituent of Morus alba (white mulberry). Constituent of Morus alba (white mulberry). Morachalcone A is found in breadfruit and fruits.
Dolichin B
Dolichin A is found in cowpea. Dolichin A is isolated from bacteria-inoculated leaves of Dolichos biflorus (papadi Isolated from bacteria-inoculated leaves of Dolichos biflorus (papadi). Dolichin A is found in fruits and cowpea.
Selinone
Isolated from roots of Angelica archangelica (angelica). 4-Prenylnaringenin is found in fats and oils, herbs and spices, and green vegetables. Selinone is found in fats and oils. Selinone is isolated from roots of Angelica archangelica (angelica).
Oenanthoside A
Oenanthoside A is found in herbs and spices. Oenanthoside A is a constituent of Oenanthe javanica (water dropwort) Constituent of Oenanthe javanica (water dropwort). Oenanthoside A is found in herbs and spices.
Linocinnamarin
Linocinnamarin is found in coffee and coffee products. Linocinnamarin is a glycoside from seeds of Linum usitatissimum (flax
8-Acetyl-T2 tetrol
8-Acetyl-T2 tetrol is a mycotoxin from Fusarium sporotrichioide Mycotoxin from Fusarium sporotrichioides
15-Deacetylneosolaniol
15-Deacetylneosolaniol is a mycotoxin from Fusarium sporotrichioides and Fusarium tricinctu Mycotoxin from Fusarium sporotrichioides and Fusarium tricinctum D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
15-[(3,3-dimethyloxiran-2-yl)methyl]-8,17-dioxatetracyclo[8.7.0.0(2),.0(1)(1),(1)]heptadeca-2(7),3,5,11(16),12,14-hexaene-5,14-diol
4-Deacetylneosolaniol
4-Deacetylneosolaniol is a mycotoxin produced by Fusarium heterosporu
1-Hydroxy-3,5-dimethoxy-2-prenylxanthone
1-Hydroxy-3,5-dimethoxy-2-prenylxanthone is found in fruits. 1-Hydroxy-3,5-dimethoxy-2-prenylxanthone is a constituent of Garcinia mangostana (mangosteen). Constituent of Garcinia mangostana (mangosteen). 1-Hydroxy-3,5-dimethoxy-2-prenylxanthone is found in fruits.
trans-isoeugenol-O-glucuronide
trans-isoeugenol-O-glucuronide is a conjugate of trans-isoeugenol and glucuronide. A glucuronide, also known as glucuronoside, is any substance produced by linking glucuronic acid to another substance via a glycosidic bond. The glucuronides belong to the glycosides. Glucuronidation, the conversion of chemical compounds to glucuronides, is a method that animals use to assist in the excretion of toxic substances, drugs or other substances that cannot be used as an energy source. Glucuronic acid is attached via a glycosidic bond to the substance, and the resulting glucuronide, which has a much higher water solubility than the original substance, is eventually excreted by the kidneys. Enzymes that cleave the glycosidic bond of a glucuronide are called glucuronidases. (Wikipedia)
(2S,3S,3Ar)-2-(2H-1,3-benzodioxol-5-yl)-5-methoxy-3-methyl-3a-(prop-2-en-1-yl)-3,3a-dihydro-1-benzofuran-6(2H)-one
8-Prenylnaringenin
(s)-4,5,7-trihydroxy-8-prenylflavanone is a member of the class of compounds known as 8-prenylated flavanones. 8-prenylated flavanones are flavanones that features a C5-isoprenoid substituent at the 8-position. Thus, (s)-4,5,7-trihydroxy-8-prenylflavanone is considered to be a flavonoid lipid molecule (s)-4,5,7-trihydroxy-8-prenylflavanone is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (s)-4,5,7-trihydroxy-8-prenylflavanone can be found in beer, which makes (s)-4,5,7-trihydroxy-8-prenylflavanone a potential biomarker for the consumption of this food product.
4-[[2-(4-Cyanoanilino)pyrimidin-4-yl]amino]-3,5-dimethylbenzonitrile
beta-D-glucosaminyl-(1->4)-beta-D-glucosamine
3-(4-(4-Chlorophenyl-4-hydroxypiperidino)methyl)indole
D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists L-741626 is a selective D2 dopamine receptor antagonist, with the Ki values of 2.4, 100 and 220 nM for human D2, D3 and D4 receptors respectively[1].
(+)-Dihydrowighteone
(+)-dihydrowighteone is a member of the class of compounds known as isoflavanones. Isoflavanones are polycyclic compounds containing an isoflavan skeleton which bears a ketone at position C4. Thus, (+)-dihydrowighteone is considered to be a flavonoid lipid molecule (+)-dihydrowighteone is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (+)-dihydrowighteone can be found in adzuki bean, which makes (+)-dihydrowighteone a potential biomarker for the consumption of this food product.
Burchellin
A neolignan with formula C20H20O5 that is isolated from Ocotea cymbarum and Piper wallichii. It is active against a variety of parasites including T. cruzi, the vector for Chagas disease.
5,4,-Dihydroxy-4,4-Dimethyl-5-[2,3:7,6]methyldihydrofuranoflavanone
3,4-Dihydro-4,5,10-trimethyl-4-vinylspiro[3,6-dioxabicyclo[3.1.0]hexane-2,2-[2H,5H]pyrano[3,2-c][1]benzopyran]-5-one
3,4-(3-Hydroxy-2,2-dimethyldihydropyrano)-4,2-dihydroxychalcone
5,7-Dihydroxy-8-C-(4-hydroxy-3-methyl-2-butenyl)flavanone
euchrenone-a7
A trihydroxyflavanone that is flavanone substituted by hydroxy groups at positions 7, 2 and 4 and a prenyl group at position 8.
Methyl 6-O-p-trans-coumaroyl-beta-D-glucopyranoside
Salvifaricin
(1S,2R,10S,12R,14R,16R,18S)-16-(furan-3-yl)-18-methyl-8,13,15-trioxapentacyclo[10.5.1.01,14.02,10.06,10]octadeca-3,5-dien-7-one is a natural product found in Salvia melissodora, Salvia xalapensis, and other organisms with data available.
4alpha-Hydroperioxi-10alpha-hydroxy-8alpha-acetoxy-1alpha,5alpha,11betaH-guaia-2-en-12,6alpha-olide
8alpha-Acetoxy-3alpha,4alpha,10beta-trihydroxy-1-guaien-12,6alpha-olide
[5aR-(5aalpha,6alpha,8alpha,9beta,9abeta,9balpha)]-8-(Acetyloxy)-5,5a,6,7,8,9,9a,9b-octahydro-6,9-dihydroxy-3-(hydroxymethyl)-5a,9-dimethylnaphtho[1,2-b]furan-2(4H)-one
3,3-Neotrehalosadiamine
An amino disaccharide consisting of alpha- and beta-D-kanosaminyl residues joined by a (1<->1)-linkage.
3,4,4a,9a-Tetrahydro-6,7-dimethylspiro[benzofuran-3(2H),2-pyrano[2,3-b]benzofuran]-2,4a,diol
1-(4-Hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-1-heptene-3,5-dione
(2S)-5,7,4-Trihydroxy-6-(1,1-dimethylallyl)flavanone
Flavaprenin
Dolichin A
Glyceocarpin
Licocoumarone
A member of the class of 1-benzofurans which consists of 1-benzofuran substituted by a hydroxy group at position 6, a methoxy group at position 4, a prenyl group at position 5 and a 2,4-dihydroxyphenyl group at position 2. It has been isolated from Glycyrrhiza uralensis.
Morachalcone A
6-Prenylnaringenin
6-prenylnaringenin is a trihydroxyflavanone having a structure of naringenin prenylated at C-6. It has a role as a T-type calcium channel blocker. It is a trihydroxyflavanone, a member of 4-hydroxyflavanones and a (2S)-flavan-4-one. It is functionally related to a (S)-naringenin. 6-Prenylnaringenin is a natural product found in Macaranga denticulata, Wyethia angustifolia, and other organisms with data available. A trihydroxyflavanone having a structure of naringenin prenylated at C-6. (2S)-6-Prenylnaringenin is the most efficient compound in forebrain. (2S)-6-Prenylnaringenin acts as a GABAA positive allosteric modulator at α+β- binding interface[1]. (2S)-6-Prenylnaringenin is the most efficient compound in forebrain. (2S)-6-Prenylnaringenin acts as a GABAA positive allosteric modulator at α+β- binding interface[1]. (2S)-6-Prenylnaringenin is the most efficient compound in forebrain. (2S)-6-Prenylnaringenin acts as a GABAA positive allosteric modulator at α+β- binding interface[1].
Selinone
A dihydroxyflavanone that is 5,7-dihydroxyflavanone substituted by a prenyloxy group at position 4 (the 2S stereoisomer). Isolated from Selinum vaginatum and Monotes engleri, it exhibits antifungal activity.
CP-863187
C18H14F2N4O (340.11356179999996)
CONFIDENCE standard compound; INTERNAL_ID 478; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8284; ORIGINAL_PRECURSOR_SCAN_NO 8283 CONFIDENCE standard compound; INTERNAL_ID 478; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8325; ORIGINAL_PRECURSOR_SCAN_NO 8323 CONFIDENCE standard compound; INTERNAL_ID 478; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8328; ORIGINAL_PRECURSOR_SCAN_NO 8326 CONFIDENCE standard compound; INTERNAL_ID 478; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8370; ORIGINAL_PRECURSOR_SCAN_NO 8368 CONFIDENCE standard compound; INTERNAL_ID 478; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8368; ORIGINAL_PRECURSOR_SCAN_NO 8366 CONFIDENCE standard compound; INTERNAL_ID 478; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8380; ORIGINAL_PRECURSOR_SCAN_NO 8379
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-hydroxy-2-(3-methylbut-2-enyl)phenoxy]oxane-3,4,5-triol
10-Acetyl-trichoderonic-acid
[Raw Data] CBA54_10-Acetyl-tr_pos_50eV.txt [Raw Data] CBA54_10-Acetyl-tr_pos_40eV.txt [Raw Data] CBA54_10-Acetyl-tr_pos_30eV.txt [Raw Data] CBA54_10-Acetyl-tr_pos_20eV.txt [Raw Data] CBA54_10-Acetyl-tr_pos_10eV.txt
Disaccharides ((2Methyl-Hex)-Pen)
C13H24O10 (340.13694039999996)
Annotation level-3
Me glycoside-beta-Pyranose-3-O-alpha-L-Rhamnopyranosyl-D-galactose
C13H24O10 (340.13694039999996)
4-(3-glucopyranosyloxy-4-hydroxyphenyl)-3-buten-2-one|4-(3-glucopyranosyloxy-4-hydroxyphenyl)-(E)-3-buten-2-one
(3beta,6beta,8alpha,10beta)-3-acetyl-6,8,10-trihydroxyeremophil-7(11)-eno-12,8-lactone|(4S,4aS,5R,6S,8aS,9aR)-6-(acetyloxy)-4a,5,6,7,8,8a,9,9a-octahydro-4,8a,9a-trihydroxy-3,4a,5-trimethylnaphtho[2,3-b]furan-2-(4H)-one
7-(2-Methylbutanoyl),9-Ac:p-Mentha-1,3,5-triene-3,7,8,9,10-penol|9-Acetoxy-7-(2-methylbutyryloxy)-8,10-dihydroxythymol
rel-(7S,8S)-Delta8-6-hydroxy-5-methoxy-3,4-methylenedioxy-7.O.2,8.3-neolignan
3alpha-hydroperoxy-8alpha-acetoxy-3-desoxo-11beta,13-dihydroparishin A
3,7-dihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-2,3-dihydrochromen-4-one
1,6-Dihydro-4,7-Epoxy-1-Methoxy-3,4-Methylenedioxy-6-Oxo-3,8-Lignan
6-[2-(1,3-Benzodioxol-5-yl)-1-methylethyl]-6-(2-propenyl)-1,3-benzodioxol-5(6H)-one
1-hydroxy-3,5-dimethoxy-4-(3-methyl-but-2-enyl)-xanthen-9-one|3,5-Di-Me ether-1,3,5-Trihydroxy-4-prenylxanthone
(2S)-5-hydroxy-7-methoxy-8-[(E)-3-oxo-1-butenyl]flavanone
Bis(phenylcarbamoyl)---4-Ac-2-Methyl-2-butene-1,4-diol
C19H20N2O4 (340.14230000000003)
bisdethiodi(methylthio)hyalodendrin
C16H24N2O2S2 (340.12791239999996)
3-Me-4-O-beta-D-Galactopyranosyl-L-rhamnose
C13H24O10 (340.13694039999996)
3alpha-acetoxy-5beta-(4-hydroxytigloyloxy)-7-hydroxycarvotacetone|3alpha-acetoxy-5beta-<4-hydroxytigloyloxy>-7-hydroxycarvotacetone
6,7-dimethyl-1-ribitol-1-yl-1,4-dihydroquinoxaline-2,3-dione
rel-(8S)-Delta8-3-methoxy-3,4-methylenedioxy-7-oxo-8.1,7:1.O.4-neolignan
5-(3-acetoxypropyl)-2-(2-methoxy-4-hydroxyphenyl)benzofuran
(8S)-Delta8-4-hydroxy-3-methoxy-3,4-methylenedioxy-7-oxo-8.1,7:1-5-neolignan|2-(3-Allyl-4-hydroxy-5-methoxyphenyl)-1-(3,4-methylenedioxyphenyl)-1-propanone
1,9-didesmerhylgaruganin III|1,9-didesmethylgaruganin III
O1-((Xi)-1-benzyl-2-methyl-propyl)-beta-D-glucopyranuronic acid|O1-((Xi)-1-Benzyl-2-methyl-propyl)-beta-D-glucopyranuronsaeure
Me glycoside-alpha-Pyranose-6-O-alpha-L-Fucopyranosyl-D-galactose
C13H24O10 (340.13694039999996)
ethyl 6-O-(2-phenylpropionyl)-beta-D-glucopyranoside
4alpha-hydroxy-3beta-chloro-8alpha-acetoxyguai-1(10),11(13)-dien-6alpha,12-olide
C17H21ClO5 (340.10774460000005)
rel-(7S,8S)-Delta8-4-hydroxy-3-methoxy-3,4-methylenedioxy-7.O.2-8.3-neolignan
4-hydroxy-3,3-dimethoxy-4,7-epoxy-8,5-neolign-7E-en-9-al
3-(4beta-D-glucopyranosyloxy-3,5-dimethoxy)-phenyl-2E-propenol
4,5-dihydroxy-7-(4-pentenyloxy)flavanone|lawsonaringenin
(?)-(6aR,11aR)-3,4,9-trihydroxy-8-(3-methylbut-2-en-1-yl)-pterocarpan
1-hydroxy-8-(hydroxymethyl)-2-[(2Z)-4-hydroxy-3-methylbut-2-en-1-yl]-6-methyl-9H-xanthen-9-one|prenxanthone
(16S)-12,16-epoxy-11,14-dihydroxy-18-oxo-17(15?16),18(4?3)-diabeo-abieta-3,5,8,11,13-pentaene-7-one|trichotomone D
(?)-2-(3-cyanomethyl-4-methoxy-1H-indol-7-yl)-2-(1H-indol-3-yl)acetonitrile
2-methoxy-4-(2-carboxyvinyl)phenyl alpha-L-rhamnopyranoside
3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide|formazan|renifolin D
12,16-epoxy-11,14-dihydroxy-7-oxo-18(4->3)-abeo-abieta-3,5,8,11,13-pentaen-18-al|ajudecumin B
12,16-epoxy-11,14-dihydroxy-18(4->3)-abeo-abieta-3,5,8,11,13-pentaen-2,7-dione|ajudecumin A
3,4-[(2,2-Dimethyl-3-hydroxy-3,4-dihydro-2H-1-benzopyran)-6,5-diyloxy]-3,4-dihydro-2H-1-benzopyran-7-ol
Me glycoside-4-O-alpha-D-Mannopyranosyl-L-rhamnose|Me glycoside-4-O-beta-D-Galactopyranosyl-L-fucose|Me glycoside-4-O-beta-D-Galactopyranosyl-L-rhamnose|Me glycoside-4-O-beta-D-Mannopyranosyl-L-rhamnose|Me glycoside-alphaalpha-Pyranose-4-O-beta-D-Glucopyranosyl-L-rhamnose
C13H24O10 (340.13694039999996)
(SC2RC7)-gamma-glutamyl-S-benzylcysteine|(SC2RC7)-??-Glutamyl-S-benzylcysteine
C15H20N2O5S (340.10928700000005)
(2alpha,3alpha,6alpha,8alpha)-3-(acetyloxy)-2,4,8-trihydroxyguai-1(10)-ene-12,6-lactone|rel-8-(acetyloxy)-3a,4,5,7,8,9,9a,9b-octahydro-4,7,9-trihydroxy-3,6,9-trimethylazuleno[4,5-b]furan-2(3H)-one|valerianin C
O1-(4-tert-pentyl-phenyl)-beta-D-glucopyranuronic acid|O1-(4-tert-Pentyl-phenyl)-beta-D-glucopyranuronsaeure
6,7-Dimethoxy-2-(2-(4-methoxyphenyl)ethyl)chromone
2-beta-D-glucopyranosyloxy-trans-cinnamic acid methyl ester|2-beta-D-Glucopyranosyloxy-trans-zimtsaeure-methylester|Methyl o-coumarate-beta-D-glucoside
1-hydroxy-5,6-dimethoxy-7-(3-methylbut-2-enyl)-xanthen-9-one|linixanthone C
(16S)-12,16-epoxy-11,14-dihydroxy-17(15-16),18(4-3)-diabeo-abieta-3,5,8,11,13-pentaene-2,7-dione ( teuvincenone E)|Teuvincenone E
(2S*,2R*,3aR*,7aS*)-2,7a-dihydroxy-6,7,3a,7a-tetrahydrospiro[1,3-benzodioxole-2,1-cyclohex-3-ene]-2,3a-dicarboxylate|(?)-idesolide|idesolide
2,3-Dimethyl-4-(1,3-benzodioxol-5-yl)-6-hydroxy-7-methoxytetralin-1-one
9-benzo[1,3]dioxol-5-yl-7,8-dimethyl-6,7,8,9-tetrahydro-naphtho[1,2-d][1,3]dioxol-9-ol|Hydroxy-otobain|hydroxyotobain|Hydroxyotobain (?) II
(1R*,3R*,6R*,7R*,8R*,10R*)-3-acetoxy-1,8,10-trihydroxyhelianga 4,11(13)-dien-6,12-olide
12,16-epoxy-6,11,14-trihydroxy-17(15-16)abeo-3alpha,18-cyclo-5,8,11,13,15-abietapentaen-7-one
1-hydroxy-3,7-dimethoxy-4-(3-methyl-but-2-enyl)-xanthen-9-one|Mbarraxanthon dimethylaether|Mbarraxanthon-dimethylaether
3-prenylnaringenin|5,7,4-trihydroxy-3-(3-methylbut-2-enyl)-flavan-4-one
2-methyl-4-[4-(2-pyridin-3-yl-oxazol-5-yl)-phenoxy]-butane-2,3-diol|2-Methyl-4-[4-(2-[3]pyridyl-oxazol-5-yl)-phenoxy]-butan-2,3-diol|2-methyl-4-[4-(2-[3]pyridyl-oxazol-5-yl)-phenoxy]-butane-2,3-diol|Halfordin|Halfordine
C19H20N2O4 (340.14230000000003)
5-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-1-(4-hydroxyphenyl)-4,6-heptadiene-3-one
15,16-epoxy-1,3,13(16),14-clerodatetraene-17,12:18,6-diolide
7a-[2-(1,3-Benzodioxol-5-yl)-1-methylethyl]-6-(2-propenyl)-1,3-benzodioxol-5(7aH)-one
O2-beta-D-glucopyranosyl-O3-methyl-6-deoxy-D-allose|O2-beta-D-Glucopyranosyl-O3-methyl-6-desoxy-D-allose
C13H24O10 (340.13694039999996)
Trijuganone C
Trijuganone C is a natural product found in Salvia miltiorrhiza, Salvia trijuga, and Salvia miltiorrhiza var. miltiorrhiza with data available.
Aethyl-(O6-beta-D-xylopyranosyl-beta-D-glucopyranosid)|ethyl-(O6-beta-D-xylopyranosyl-beta-D-glucopyranoside)
C13H24O10 (340.13694039999996)
2-hydroxyneobavaisoflavanone
A hydroxyisoflavanone that is 2,3-dihydroneobavaisoflavone with an additional hydroxy group at position 2. Isolated from Erythrina lysistemon, it exhibits anti-HIV activity.
broussochalcone
Broussochalcone A is a natural product found in Broussonetia papyrifera with data available.
Zuihonin A
Zuihonin A is a natural product found in Saururus cernuus, Chamaecyparis obtusa, and other organisms with data available.
rel-(8R,8R)-Dimethyl-(7S,7R)-bis(3,4-methylenedioxyphenyl)tetrahydro-furan
rel-(8R,8'R)-Dimethyl-(7S,7'R)-bis(3,4-methylenedioxyphenyl)tetrahydro-furan is a chemical constituent of the fruit of Myristica fragrans. rel-(8R,8'R)-Dimethyl-(7S,7'R)-bis(3,4-methylenedioxyphenyl)tetrahydro-furan is a chemical constituent of the fruit of Myristica fragrans.
d-epigalbacin
(-)-Zuonin A is a natural product found in Saururus chinensis with data available. (-)-Zuonin A (D-Epigalbacin), a naturally occurring lignin, is a potent, selective JNKs inhibitor, with IC50s of 1.7 μM, 2.9 μM and 1.74 μM for JNK1, JNK2 and JNK3, respectively[1]. (-)-Zuonin A (D-Epigalbacin), a naturally occurring lignin, is a potent, selective JNKs inhibitor, with IC50s of 1.7 μM, 2.9 μM and 1.74 μM for JNK1, JNK2 and JNK3, respectively[1]. (-)-Zuonin A (D-Epigalbacin), a naturally occurring lignin, is a potent, selective JNKs inhibitor, with IC50s of 1.7 μM, 2.9 μM and 1.74 μM for JNK1, JNK2 and JNK3, respectively[1]. (-)-Zuonin A (D-Epigalbacin), a naturally occurring lignin, is a potent, selective JNKs inhibitor, with IC50s of 1.7 μM, 2.9 μM and 1.74 μM for JNK1, JNK2 and JNK3, respectively[1].
1,6-Dihydro-4,7-epoxy-1-methoxy-3,4-methylenedioxy-6-oxo-3,8-lignan
CID 101282026 is a natural product found in Ocotea porosa, Aniba terminalis, and Magnolia denudata with data available.
CID 129316722
4-[5-(4-hydroxy-3-methoxyphenyl)-3,4-dimethylfuran-2-yl]-2-methoxyphenol
5,7-dihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-2,3-dihydrochromen-4-one
C17H24O7_(3beta,4alpha,8alpha)-3,4,8-Trihydroxy-12,13-epoxytrichothec-9-en-15-yl acetate
C17H24O7_Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 4-acetate, (3alpha,4beta,8alpha)
alpha-(o-Nitro-p-tolylazo)acetoacetanilide
http://casmi-contest.org/challenges-cat1-2.shtml; CASMI2012 LC Challenge 12
Arylbenzofuran flavonoid base + 3O, 1MeO, 1Prenyl
Annotation level-3
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-hydroxy-2-(3-methylbut-2-enyl)phenoxy]oxane-3,4,5-triol_44.8\\%
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-hydroxy-2-(3-methylbut-2-enyl)phenoxy]oxane-3,4,5-triol_major
Ala Gly Gly His
Ala Gly His Gly
Ala His Gly Gly
Gly Ala Gly His
Gly Ala His Gly
Gly Gly Ala His
Gly Gly His Ala
Gly His Ala Gly
Gly His Gly Ala
His Ala Gly Gly
His Gly Ala Gly
His Gly Gly Ala
3-(2-Hydroxy-3-methylbut-3-enyl)-4,2,4-trihydroxychalcone
LINOCINNAMARIN
Oenanthoside A
TMR 1
8-Acetyl-T2 tetrol
1-Hydroxy-3,5-dimethoxy-2-prenylxanthone
Dracocephalumoid E
ethyl 2-amino-3-nitro-4-phenyl-5,6,7,8-tetrahydronaphthalene-1-carboxylate
C19H20N2O4 (340.14230000000003)
(4-BOC-AMINO-PIPERIDIN-1-YL)-(1H-INDOL-2-YL)-ACETICACID
C16H24N2O4S (340.14567040000003)
(4-BENZYLPIPERAZIN-1-YL)ACETONITRILE
C16H24N2O4S (340.14567040000003)
1-BOC-4-(CARBOXY-THIOPHEN-3-YL-METHYL)-[1,4]DIAZEPANE
C16H24N2O4S (340.14567040000003)
(2S,1S)-2-CYCLOPROPYL-2-(1-PHENYLETHYLAMINO)ACETICACID
N,N-diethyl-4-[(6-methoxy-2-benzothiazolyl )azo]-Benzenamine
4,4-diamino[1,1-bianthracene]-9,9,10,10-tetraone
C22H16N2O2 (340.12117159999997)
Nilofabicin
C254 - Anti-Infective Agent > C258 - Antibiotic
4-(5-methoxy-3-phenyl-1,6-naphthyridin-2-yl)benzaldehyde
C22H16N2O2 (340.12117159999997)
(1S,2S)-2-Deutero-N-butyl-N,N-dimethylcyclooctanaminium iodide
ETHYL 3-(SEC-BUTYLTHIO)-6,6-DIMETHYL-4-OXO-4,5,6,7-TETRAHYDROBENZO[C]THIOPHENE-1-CARBOXYLATE
1,3,5,7-tetramethyl-1,3,5,7-tetravinylcyclotetrasilazane
butane-1,4-diol,1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene
C19H20N2O4 (340.14230000000003)
N1-[2-(2-PIPERIDYL)ETHYL]-3,5-DI(TRIFLUOROMETHYL)ANILINE
4-benzoyl-2,5-diphenyl-4H-pyrazol-3-one
C22H16N2O2 (340.12117159999997)
4-[4-(2-METHOXYPHENYL)PIPERIDINO]-3-NITROBENZALDEHYDE
C19H20N2O4 (340.14230000000003)
4,5-BIS(PHENYLMETHOXY)-1,2-BENZENEDICARBONITRILE
C22H16N2O2 (340.12117159999997)
(3-BOC-AMINO-AZETIDIN-1-YL)-THIOPHEN-2-YL-ACETICACID
C16H24N2O4S (340.14567040000003)
1-BOC-4-(CARBOXY-THIOPHEN-2-YL-METHYL)-[1,4]DIAZEPANE
C16H24N2O4S (340.14567040000003)
ETHYL 2-(3-CHLORO-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENOXY)ACETATE
3-(2-BIPHENYL-4-YL-IMIDAZO[1,2-A]PYRIDIN-3-YL)-ACRYLIC ACID
C22H16N2O2 (340.12117159999997)
3-(3-CARBAMOYL-BENZENESULFONYL)-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
C15H20N2O5S (340.10928700000005)
3-(4-CARBAMOYL-BENZENESULFONYL)-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
C15H20N2O5S (340.10928700000005)
(3-BOC-AMINO-AZETIDIN-1-YL)-PYRIDIN-4-YL-ACETICACID
C16H24N2O4S (340.14567040000003)
(R)-tert-butyl 3-Mercapto-1-(4-Methoxybenzylamino)-1-oxopropan-2-ylcarbamate
C16H24N2O4S (340.14567040000003)
1-Naphthalenecarboxaldehyde,2-hydroxy-, 2-[(2-hydroxy-1-naphthalenyl)methylene]hydrazone
C22H16N2O2 (340.12117159999997)
N-[N′-Fmoc-(2′-aminoethyl)]glycine
C19H20N2O4 (340.14230000000003)
tert-Butyl 4-[4-(ethoxycarbonyl)-1,3-thiazol-2-yl]tetrahydro-1(2H)-pyridinecarboxylate
C16H24N2O4S (340.14567040000003)
Chitosan oligosaccharide (COS)
A beta-D-glucosaminyl-(1->4)-D-glucosamine having beta-configuration at the reducing end anomeric centre.
tert-butyl 4-(2-fluoro-4-nitrophenoxy)piperidine-1-carboxylate
6-AMINOMETHYL-6, 11-DIHYDRO-5H-DIBENEZ[B,E]AZEPINE (E)-2-BUTENEDIOATE
C19H20N2O4 (340.14230000000003)
3H-Thieno[2,3-d]imidazole-5-carboxylic acid,3-cyclohexyl-6-methyl-2-phenyl-
(S)-benzyl 1-oxo-1-(2-oxo-2-phenylethylamino)propan-2-ylcarbamate
C19H20N2O4 (340.14230000000003)
(3aR,4R,5R,6aS)-4-((E)-4-(3-chlorophenoxy)-3-hydroxybut-1-en-1-yl)hexahydro-2H-cyclopenta[b]furan-2,5-diol
C17H21ClO5 (340.10774460000005)
(2S)-1-[4-(2-acetamidoethyl)phenyl]sulfonylproline
C15H20N2O5S (340.10928700000005)
2-(2-(1-(TERT-BUTOXYCARBONYL)PIPERIDIN-4-YL)-5-METHYLTHIAZOL-4-YL)ACETIC ACID
C16H24N2O4S (340.14567040000003)
methyl sulfate,prop-2-enamide,trimethyl(2-prop-2-enoyloxyethyl)azanium
(2R,5R)-1,6-Diphenylhexane-2,5-diamine dihydrochloride
(4R,12aS)-3,4,12,12a-Tetrahydro-4-methyl-7-(phenylmethoxy)-2H-pyrido[1,2:4,5]pyrazino[2,1-b][1,3]oxazine-6,8-dione
C19H20N2O4 (340.14230000000003)
5-(2-chlorophenyl)-6-[4-(dimethylamino)phenyl]-2-methyl-1,2,4-triazin-3-one
4-PHENYL-1-(P-TOLYLSULPHONYL)PIPERIDINE-4-CARBONITRILE
2-[4-(2-Methoxyphenyl)piperidino]-5-nitrobenzaldehyde
C19H20N2O4 (340.14230000000003)
Enarodustat
C78275 - Agent Affecting Blood or Body Fluid Enarodustat is a potent and orally active hypoxia-inducible factor prolyl hydroxylase inhibitor, with an EC50 of 0.22 μM. Enarodustat has the potential for renal anemia treatment.
2-(2-Quinolin-3-Ylpyridin-4-Yl)-1,5,6,7-Tetrahydro-4h-Pyrrolo[3,2-C]pyridin-4-One
5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
(2R/S)-6-PNG (6-Prenylnaringenin) is a potent and reversible Cav3.2 T-type Ca2+ channels (T-channels) blocker. (2R/S)-6-PNG can penetrate the blood-brain barrier (BBB). (2R/S)-6-PNG suppresses neuropathic and visceral pain in mice[1].
4,4,4-Trifluoro-1-(3-Phenyl-1-Oxa-2,8-Diazaspiro[4.5]dec-2-En-8-Yl)butan-1-One
C17H19F3N2O2 (340.13985499999995)
futoenone
A neolignan with formula C20H20O5 that is isolated from Magnolia sprengeri and Piper wallichii.
2-[2-(4-aminophenyl)-3H-benzimidazol-5-yl]-3H-benzimidazol-5-amine
3,4-Dimethyl-2,5-bis(4-hydroxy-3-methoxyphenyl)furan
N-[amino-[2-(1H-indol-3-yl)ethylimino]methyl]-4-chlorobenzamide
1,6:5,9:8,12:11,16-tetraanhydro-2,3,4,10,13,14-hexadeoxy-D-glycero-D-allo-D-gulo-heptadeca-2,13-dienitol
A trans-fused organic heterotetracyclic compound consisting of two fused pyran rings flanked by two oxepan rings.
Methyl 2-O-alpha-rhamnopyranosyl-beta-galactopyranoside
C13H24O10 (340.13694039999996)
3-Ethoxy-6-[4-(2-ethoxyphenoxy)-1,2-dihydropyrazol-3-ylidene]-1-cyclohexa-2,4-dienone
C19H20N2O4 (340.14230000000003)
1,2,4-Triazolo(4,3-a)pyridine, 6-(4-(2,5-difluorophenyl)-5-oxazolyl)-3-(1-methylethyl)-
C18H14F2N4O (340.11356179999996)
1-(N-Imidazolyl)-2-hydroxy-2-(2,3-dichlorophenyl)octane
Protodeoxyviolaceinate
A monocarboxylic acid anion that is the conjugate base of protodeoxyviolaceinic acid, resulting from the removal of the proton from the carboxy group. Major structure at pH 7.3.
(4,10,11-Trihydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2-oxirane]-2-yl)methyl acetate
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
4-Deacetylneosolaniol
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
3,4,4a,9a-tetrahydro-6,7-dimethylspiro[benzofuran-3(2H),2-pyrano[2,3-b]benzofuran]-2,4a-diol
A natural product found in Eupatorium cannabinum subspecies asiaticum.
6-Amino-4-(2,4-dimethoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
C18H20N4O3 (340.15353300000004)
7-Amino-5-(4-ethoxy-3-methoxyphenyl)-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile
6-Amino-4-(2-ethoxy-4-hydroxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
C18H20N4O3 (340.15353300000004)
2,5-dimethyl-4-nitro-N-[4-(1-pyrazolylmethyl)phenyl]-3-pyrazolecarboxamide
1-[2,4-dimethyl-5-[2-[(phenylmethyl)amino]-4H-1,3,4-thiadiazin-5-ylidene]-3-pyrrolyl]ethanone
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-yl-2-furancarboxamide
C19H20N2O4 (340.14230000000003)
N-benzyl-3-(2,5-dimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
C19H20N2O4 (340.14230000000003)
N-[4-(1,3-benzothiazol-2-yl)phenyl]-N-methylcarbamic acid tert-butyl ester
N-(1,3-benzodioxol-5-yl)-4-(4-morpholinylmethyl)benzamide
C19H20N2O4 (340.14230000000003)
S-(-)-7,8-Didehydrocorydalmine
C20H22NO4+ (340.15487520000005)
A natural product found in Annona glabra.
8-(2,5-Dimethylphenoxy)-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione
C18H20N4O3 (340.15353300000004)
4-[[(1-Methylsulfonyl-4-piperidinyl)-oxomethyl]amino]benzoic acid methyl ester
C15H20N2O5S (340.10928700000005)
N-(4-methoxybenzyl)-3-(4-methoxyphenyl)-4,5-dihydroisoxazole-5-carboxamide
C19H20N2O4 (340.14230000000003)
2-fluoro-N-[2-(2-methylpropyl)-1,3-dioxo-5-isoindolyl]benzamide
C19H17FN2O3 (340.12231440000005)
4-(4-Ethoxyphenyl)-1-(4-methoxyphenyl)-2-(methylthio)imidazole
6-(3,4-Dimethoxyphenyl)-4-methoxy-1,3-dimethyl-8-cyclohepta[c]furanone
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(4-nitrophenyl)urea
C18H20N4O3 (340.15353300000004)
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-pyrimidinyl)-3-piperidinecarboxamide
C18H20N4O3 (340.15353300000004)
4-ethyl-5-methyl-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-thiophenecarboxamide
N-(3-acetylphenyl)-3-(1-ethyl-3-methyl-4-pyrazolyl)-4,5-dihydroisoxazole-5-carboxamide
C18H20N4O3 (340.15353300000004)
N-(6-methyl-1,3-benzothiazol-2-yl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
N-[3,4-dihydro-2H-quinolin-1-yl(sulfanylidene)methyl]-2-(3-methylphenoxy)acetamide
2-Amino-1-(2-methylphenyl)-4-(4-methylphenyl)-6-oxopyridine-3,5-dicarbonitrile
3,8,15-Trihydroxy-12,13-epoxytrichothec-9-en-4-yl acetate
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
1-(4-Methylphenyl)-3,5-diphenylpent-2-ene-1,5-dione
2-(3-chloro-4-fluorophenoxy)-N-[(3S)-1-(cyclopropylmethyl)-3-piperidinyl]acetamide
N-(6-tert-butylthieno[3,2-d]pyrimidin-4-yl)-4-methylbenzohydrazide
4-methoxybenzaldehyde N-[6-(tert-butyl)thieno[3,2-d]pyrimidin-4-yl]hydrazone
[(2->6)-beta-D-fructofuranosyl-]n alpha-D-glucopyranoside
C13H24O10 (340.13694039999996)
6-(2-Benzyl-3-oxopropoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
3,4,5-Trihydroxy-6-[(2-methyl-3-phenyloxiran-2-yl)methoxy]oxane-2-carboxylic acid
3,4,5-Trihydroxy-6-[1-(3-phenyloxiran-2-yl)ethoxy]oxane-2-carboxylic acid
15-Deacetylneosolaniol
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
2-(3-Benzoylphenyl)butyric acid trimethylsilyl ester
(1-Acetyloxy-3-phosphonooxypropan-2-yl) octanoate
C13H25O8P (340.12869800000004)
(1-Phosphonooxy-3-propanoyloxypropan-2-yl) heptanoate
C13H25O8P (340.12869800000004)
(1-Butanoyloxy-3-phosphonooxypropan-2-yl) hexanoate
C13H25O8P (340.12869800000004)
(2-Pentanoyloxy-3-phosphonooxypropyl) pentanoate
C13H25O8P (340.12869800000004)
Diphacinone
B - Blood and blood forming organs > B01 - Antithrombotic agents > B01A - Antithrombotic agents > B01AA - Vitamin k antagonists C78275 - Agent Affecting Blood or Body Fluid > C263 - Anticoagulant Agent
L-741,626
D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists L-741626 is a selective D2 dopamine receptor antagonist, with the Ki values of 2.4, 100 and 220 nM for human D2, D3 and D4 receptors respectively[1].
Toxin NT 2
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
methyl (E)-3-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoate
methyl 2-O-alpha-L-fucopyranosyl-beta-D-galactoside
C13H24O10 (340.13694039999996)
coniferaldehyde beta-D-glucoside
A beta-D-glucoside that is coniferaldehyde in which the phenolic hydrogen has been replaced by a beta-D-glucosyl residue.
Syk Inhibitor II
Syk Inhibitor II is a potent, high selective and ATP-competitive Syk inhibitor with an IC50 of 41 nM. Syk Inhibitor II inhibits 5-HT release from RBL-cells with an IC50 of 460 nM. Syk Inhibitor II shows less potent against other kinases and has anti-allergic effect[1].