Exact Mass: 362.1074

Procumbide

Antirrhinoside

Catalpol

(2S,3R,4S,5S,6R)-2-(((1aS,1bS,2S,5aR,6S,6aS)-6-hydroxy-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[2,3:4,5]cyclopenta[1,2-c]pyran-2-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol

Catalpol is an organic molecular entity. It has a role as a metabolite. Catalpol is a natural product found in Verbascum lychnitis, Plantago atrata, and other organisms with data available. See also: Rehmannia glutinosa Root (part of). Catalpol (Catalpinoside), an iridoid glycoside found in Rehmannia glutinosa. Catalpol has neuroprotective, hypoglycemic, anti-inflammatory, anti-cancer, anti-spasmodic, anti-oxidant effects and anti-HBV effects[1][2][3]. Catalpol (Catalpinoside), an iridoid glycoside found in Rehmannia glutinosa. Catalpol has neuroprotective, hypoglycemic, anti-inflammatory, anti-cancer, anti-spasmodic, anti-oxidant effects and anti-HBV effects[1][2][3].

Nagilactone C

5,10-dihydroxy-1,6-dimethyl-12-propan-2-yl-3,8,13-trioxapentacyclo[7.7.1.02,4.06,17.011,16]heptadeca-11,15-diene-7,14-dione

Nagilactone is a natural product found in Podocarpus hallii, Afrocarpus gracilior

gibberellin A8-catabolite

A tetracyclic diterpenoid obtained by catabolism of gibberellin A8.

AZD7762

(S)-5-(3-Fluorophenyl)-N-(piperidin-3-yl)-3-ureidothiophene-2-carboxamide

C17H19FN4O2S (362.1213)

C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor

Gibberellin A21

(1R,2R,5S,8S,9S,10R,11R)-5-hydroxy-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1^{5,8}.0^{1,10}.0^{2,8}]heptadecane-9,11-dicarboxylic acid

Gibberellin A21 (GA21) belongs to the class of organic compounds known as C19-gibberellin 6-carboxylic acids. These are C19-gibberellins with a carboxyl group at the 6-position. Gibberellin A21 is found in pulses. Gibberellin A21 is a constituent of the immature seeds of Canavalia gladiata (sword bean). Constituent of the immature seeds of Canavalia gladiata (sword bean). Gibberellin A21 is found in pulses.

5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6-dimethoxy-3,4-dihydro-2H-1-benzopyran-4-one

Zanthobisquinolone

4-hydroxy-3-[(4-hydroxy-1-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-1-methyl-1,2-dihydroquinolin-2-one

Zanthobisquinolone is found in fruits. Zanthobisquinolone is an alkaloid from root wood of Zanthoxylum simulans (Szechuan pepper). Alkaloid from root wood of Zanthoxylum simulans (Szechuan pepper). Zanthobisquinolone is found in herbs and spices and fruits.

Gibberellin A87

(1R,2R,4S,5S,8S,9S,10R,11S,12S)-4,5,12-trihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1^{5,8}.0^{1,10}.0^{2,8}]heptadec-13-ene-9-carboxylic acid

Gibberellin A87 (GA87) belongs to the class of organic compounds known as C19-gibberellin 6-carboxylic acids. These are C19-gibberellins with a carboxyl group at the 6-position. Gibberellin A87 is found in fruits. Gibberellin A87 is a constituent of Prunus avium (wild cherry). Constituent of Prunus avium (wild cherry). Gibberellin A87 is found in many foods, some of which are sour cherry, peach, sweet cherry, and fruits.

Diosbulbin C

3-(furan-3-yl)-8-hydroxy-5-methyl-14-oxo-2,13-dioxatetracyclo[10.2.1.0¹,⁵.0⁶,¹¹]pentadecane-10-carboxylic acid

Diosbulbin C is found in root vegetables. Diosbulbin C is a constituent of Dioscorea bulbifera (air potato). Constituent of Dioscorea bulbifera (air potato). Diosbulbin C is found in root vegetables.

Gibberellin A93

(1R,2R,5S,8S,9S,10R,11S,12R,14S,15R)-5,15-dihydroxy-11-methyl-6-methylidene-17-oxo-13,16-dioxahexacyclo[9.4.2.1^{5,8}.0^{1,10}.0^{2,8}.0^{12,14}]octadecane-9-carboxylic acid

Gibberellin A93 (GA93) belongs to the class of organic compounds known as C19-gibberellin 6-carboxylic acids. These are C19-gibberellins with a carboxyl group at the 6-position. Gibberellin A93 is found in cereals and cereal products. Gibberellin A93 is a constituent of Triticum aestivum (wheat). Constituent of Triticum aestivum (wheat). Gibberellin A93 is found in wheat, cereals and cereal products, and common wheat.

2',8-Dihydroxy-3',4',5',7-tetramethoxyflavan

2,8-Dihydroxy-3,4,5,7-tetramethoxyflavan

2,8-Dihydroxy-3,4,5,7-tetramethoxyflavan is found in fruits. 2,8-Dihydroxy-3,4,5,7-tetramethoxyflavan is a constituent of the roots of Muntingia calabura (Jamaica cherry). Constituent of the roots of Muntingia calabura (Jamaica cherry). 2,8-Dihydroxy-3,4,5,7-tetramethoxyflavan is found in fruits.

(2R,3S,4R,5R,6S)-2-[[(1R,2R,4R,5R,6S,10R)-5-Hydroxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

3-(5-Methylisoxazol-3-yl)-6-[(1-methyl-1H-1,2,3-triazol-4-yl)methoxy][1,2,4]triazolo[3,4-a]phthalazine

1-methyl-4-({[3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxy}methyl)-1H-1,2,3-triazole

C17H14N8O2 (362.124)

α5IA (L-822179) is a selective α5 GABAA receptor inverse agonist with neuroprotective potential[1].

5Z-7-Oxozeaenol

8,9,16-Trihydroxy-14-methoxy-3-methyl-3,4,9,10-tetrahydro-1H-benzo(c)(1)oxacyclotetradecine-1,7(8H)-dione

7-O-Galloyl-sedoheptulose

(2,3,4,5,7-Pentahydroxy-6-oxoheptyl) 3,4,5-trihydroxybenzoate

C14H18O11 (362.0849)

4,5-Diaminofluorescein

5,6-diamino-3,6-dihydroxy-3H-spiro[2-benzofuran-1,9-xanthene]-3-one

homocamptothecin

20-ethyl-20-hydroxy-17-oxa-3,13-diazapentacyclo[11.9.0.0^{2,11}.0^{4,9}.0^{15,21}]docosa-1(22),2,4,6,8,10,15(21)-heptaene-14,18-dione

Piretanide

4-phenoxy-3-(pyrrolidin-1-yl)-5-sulfamoylbenzoic acid

D045283 - Natriuretic Agents > D004232 - Diuretics > D049994 - Sodium Potassium Chloride Symporter Inhibitors C - Cardiovascular system > C03 - Diuretics > C03C - High-ceiling diuretics > C03CA - Sulfonamides, plain C78275 - Agent Affecting Blood or Body Fluid > C448 - Diuretic > C49184 - Loop Diuretic D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D049990 - Membrane Transport Modulators

3',6'-Dihydroxy-4,5-diaminospiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one

3,6-Dihydroxy-4,5-diaminospiro[isobenzofuran-1(3H),9-[9H]xanthene]-3-one

2-Chloro-N-[[4-[(2-chloroanilino)methyl]cyclohexyl]methyl]aniline

2-chloro-N-[(4-{[(2-chlorophenyl)amino]methyl}cyclohexyl)methyl]aniline

C20H24Cl2N2 (362.1316)

Pentazirinocyclodiphosphathiazene

pentakis(aziridin-1-yl)-1lambda6,2,4,6,3lambda5,5lambda5-thiatriazadiphosphinin-1-one

C10H20N8OP2S (362.0956)

Ligstroside-aglycone

Methyl (2R,3E,4S)-3-ethylidene-2-hydroxy-4-{2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl}-3,4-dihydro-2H-pyran-5-carboxylic acid

Ligstroside-aglycone belongs to iridoids and derivatives class of compounds. Those are monoterpenes containing a skeleton structurally characterized by the presence of a cylopentane fused to a pyran ( forming a 4,7-dimethylcyclopenta[c]pyran), or a derivative where the pentane moiety is open. Ligstroside-aglycone is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Ligstroside-aglycone can be found in olive, which makes ligstroside-aglycone a potential biomarker for the consumption of this food product.

gibberellin A8-catabolite

5,12-dihydroxy-4-methyl-13-methylidene-6-oxotetracyclo[10.2.1.0¹,⁹.0³,⁸]pentadec-7-ene-2,4-dicarboxylic acid

Gibberellin a8-catabolite is a member of the class of compounds known as c19-gibberellin 6-carboxylic acids. C19-gibberellin 6-carboxylic acids are c19-gibberellins with a carboxyl group at the 6-position. Gibberellin a8-catabolite is slightly soluble (in water) and a weakly acidic compound (based on its pKa). Gibberellin a8-catabolite can be found in a number of food items such as chia, durian, pepper (c. annuum), and mung bean, which makes gibberellin a8-catabolite a potential biomarker for the consumption of these food products.

Danmelittoside

(2R,4R,5R,6S)-2-(hydroxymethyl)-6-{[(4aS,7aR)-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy}dihydro-2H-pyran-2,3,3,4,5(4H)-pentol (non-preferred name)

Monomelittoside is a natural product found in Plantago media, Stachys lavandulifolia, and other organisms with data available.

2,3-Dihydroirigenin

5,7,3-Trihydroxy-6,4,5-trimethoxyisoflavanone

[3aS-[3aalpha,4beta,5beta,6alpha(S*),7alpha,7abeta]]-5-(1-Formylethenyl)octahydro-7-hydroxy-6-methyl-3-methylene-6-oxiranyl-2-oxo-4-benzofuranyl ester 2-methyl-2-propenoic acid

Verafinin C

Gibberellin A33

Clandonoside

Ovalifolienalone

Flustramine F

C18H23BrN2O (362.0994)

(diacetoxy[?]yl)methyl benzoate

Gaillardipinnatin

Samaderine B

A quassinoid isolated from Quassia indica and Samadera madagascariensis. It exhibits antimalarial and cytotoxic activities.

Repin

[3aS-(3aalpha,4alpha,4abeta,6alpha,9alpha,9aalpha,10beta,10aalpha)]-Dodecahydro-10-hydroxy-9a-methyl-3,5-bis(methylene)-2-oxo-6,9-epoxyfuro[2,3-h][3]benzoxepin-4-yl ester 2-methyl-2-propenoic acid

5,7,3-Trihydroxy-6,4,5-trimethoxyflavanone

Virginioside

[3aS-[3aalpha,4beta,5beta,6alpha(S*),7alpha,7abeta]]-5-(1-Formylethenyl)octahydro-4-hydroxy-6-methyl-3-methylene-6-oxiranyl-2-oxo-7-benzofuranyl ester 2-methyl-2-propenoic acid

Chamanetin

(S) -2,3-Dihydro-5,7-dihydroxy-8- [ (2-hydroxyphenyl) methyl ] -2-phenyl-4H-1-benzopyran-4-one

Disparfuran B

Morintrifolin B

Epoxyrepdiolide

11,13-Dihydrovernodalin

Isodisparfuran A

Flagranone B

Gibberellin A26

Tephcalostan

8,9-Methylenedioxy-5-(1-methylethenyl)-4,5-dihydrofurano[2,3:3,2]-coumestan

Machaerol B

6,2-Dihydroxy-7,8,3,4-tetramethoxyisoflavan

Melampodin C

Oxoafraglaucolide

[9S-(9R*,10E,11aS*)]-9-(Acetyloxy)-3-[(acetyloxy)methyl]-5,6,9,11a-tetrahydro-10-methyl-6-methylenecyclodeca[b]furan-2,7(4H,8H)-dione

Tomenphantopin B

[3aS-(3aR,4R,5R,6S,10R,11aS)]-2,3,3a,4,5,6,7,10,11,11a-Decahydro-5-hydroxy-6,10-dimethyl-3-methylene-2,7-dioxo-6,9-epoxycyclodeca[b]furan-4-yl ester 2-methyl-2-propenoic acid

[3aS-(3aR*,4R*,5R*,6S*,10R*,11aS*)]-2,3,3a,4,5,6,7,10,11,11a-Decahydro-5-hydroxy-6,10-dimethyl-3-methylene-2,7-dioxo-6,9-epoxycyclodeca[b]furan-4-yl ester 2-methyl-2-propenoic acid

Dihydroelephantopin

2,3,3a,4,5,6,7,8,9,11a-Decahydro-9-hydroxy-6,10-dimethyl-3-methylene-2,7-dioxo-6,9-epoxycyclodeca[b]furan-4-yl ester 2-methyl-2-propenoic acid

2,7-Dihydroxy-1-(4-hydroxybenzoyl)4-methoxy-9,10-dihydrophenanthrene

[3aS-(3aalpha,4alpha,5alpha,9alpha,9aalpha,9bbeta)]-4,5-Bis(acetyloxy)-3a,4,5,9,9a,9b-hexahydro-9-hydroxy-6,9-dimethyl-3-methylene-azuleno[4,5-b]furan-2(3H)-one

8-O-Methylasterric acid

[3aS-(3aalpha,4alpha,5alpha,9beta,9aalpha,9bbeta)]-4,5-Bis(acetyloxy)-3a,4,5,9,9a,9b-hexahydro-9-hydroxy-6,9-dimethyl-3-methylene-azuleno[4,5-b]furan-2(3H)-one

(3S)-7,3-Dihydroxy-8,2,4,5-tetramethoxyisoflavan

2,3-Dihydroxy-3,4,4,5-tetramethoxydihydrochalcone

Methyl Asterrate

Isochamanetin

(S) -2,3-Dihydro-5,7-dihydroxy-6- [ (2-hydroxyphenyl) methyl ] -2-phenyl-4H-1-benzopyran-4-one

A natural product found in Piper sarmentosum.

Difpas-pyrazole

C18H16F2N2O2S (362.09)

CCG-53207

C13H13F3N4O5 (362.0838)

Maybridge1_003212

Maybridge2_000028

C15H17F3N2O3S (362.0912)

Oprea1_448786

ZINC20443893

C19H14ClF3N2 (362.0798)

alpha-Aminoorcein

A member of the class of phenoxazines that is 1,9-dimethyl-3H-phenoxazin-3-one carrying additional amino and 2,4-dihydroxy-6-methylphenyl substituents at positions 7 and 8 respectively. A component of orcein, a mixture of dyes isolated from lichens.

[(3aS,4S,5S,6E,10Z,11aR)-6-formyl-5-hydroxy-10-(hydroxymethyl)-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylprop-2-enoate

6-O-trans-p-coumaroyl-3beta-O-methyl-7-deoxyrehmaglutin A|6-O-trans-p-Coumaroyl-3??-O-methyl-7-deoxyrehmaglutin A

4-O-methyl erythrostominone

8alpha,15-Bis(acetoxy)anhydroverlotorin

14-Methoxyhalenaquinone

7,8-Di-Me ether-3-(3,4-Dihydroxybenzyl)-5,6,7,8-tetrahydroxy-4-chromanone

lindiol

(E)-8alpha,15-Diacetoxy-1-oxo-beta-cyclocostunolid|1-Ketone,8,15-di-Ac-1,8,15-Trihydroxy-4(15),11(13)-eudesmadien-12,6-olide

Lepraric acid

shinjulactone B

8-(Methylpropanoyl)-(4Z,6alpha,8beta,9alpha,10beta)-3,10-Epoxy-8,9-dihydroxy-1-oxo-2,4,11(13)-germacratrien-12,6-olide

2-Ketone,8,15-di-Ac-1,8,15-Trihydroxy-4,10(14),11(13)-germacratrien-12,6-olide

4alpha,5beta-epoxy-4,5-dihydrovernonallenolide

6-Hydroxy-5,6-dihydroeurycomalactone

4beta-carboxymethyl-(-)-epicatechin methyl ester

C18H18O8

eupahakonin-B

epoxydecaloside

9-hydroxy-11,18-dimethylhalenaquinone

1-hydroxy-2,3,4,5,7-pentamethoxyxanthone

C19H22O7

depside atranorin|Homodiploschistesinsaeure-methylester

pseudoelephantopide 8-O-methacrylate

Eustomin

(6S,7R,8S)-8,14-diacetoxyhelianga-1(10),4,11(13)-trien-15-al-6,12-olide

C15H22O10

SCHEMBL3357908

Scorpiolide

[3aS-[3aalpha,4beta,5beta,6alpha(S*),7alpha,7abeta]]-5-(1-Formylethenyl)octahydro-7-hydroxy-6-methyl-3-methylene-6-oxiranyl-2-oxo-4-benzofuranyl ester 2-methyl-2-propenoic acid

3-O-demethyltanegool

LMPK12140146

Secosterigmatocystin

D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins

(4R,5S,6S,7R,8S,10R)-8-(2,3-Epoxy-2-methylpropanoyloxy)-4-hydroxy-1-oxoeudesma-2,7(11)-dien-6,12-olide

(4R*,5S*,6S*,7R*,8S*,10R*)-8-(2,3-Epoxy-2-methylpropanoyloxy)-4-hydroxy-1-oxoeudesma-2,7(11)-dien-6,12-olide

FR 148083; L 783279

3,4,7,8-Tetra-Me ether-(2R,3S,4S)-3,3,4,4,7,8-Hexahydroxyflavan

4,15-isobudlein A isobutyrate

(3,4,5-triacetyloxy-6-methoxyoxan-2-yl)methyl acetate

Benzocamphorin E

Onopordopicrin

Methyl 18-Bromo-(17Z)-octadeca-17-ene-5,7,15-triynoate

Howiinin A

Neopusticin ?

(+)-Halenaquinol dimethyl ether|(12bS)-(+)-8,11-dimethoxy-12b-methyl-1H-benzo[6,7]phenanthro(10,1-bc)furan-3,6(2H,12b H)-dione|halenaquinol dimethyl ether

2,2-dihydroxy-4,4,6,6-tetramethoxy-3,3-dimethylbenzophenone

(5R,6R,7R,8S,10S)-8,14-diacetoxyelema-1,3,11(13)-trien-15-al-6,12-olide

2-O-beta-D-glucosyltrideca-3E,11Z-dien-5,7,9-triyn-1,2-diol

2,3-dihydroxy-4,3,4,5-tetramethoxydihydrochalcone

Tephroglabin|tephroglabrin

2-caffeoyloxy-3-hydroxy-3-(3,4-dihydroxyphenyl)propyl alcohol

Procumbid

8??-Epoxymethylacrylyloxyparthenin

2-(3,4-Dimethoxyphenyl)-7,8-dimethoxy-3,4-chromanediol #

eupahakonin-A

Arizonin B2

lesjuncerol

(2aS,3R,4aS,6R,11aR,11bR)-3-hydroxy-10-(hydroxymethyl)-3-isopropenyl-2a,6,10-trimethyl-2a,3,5,6,11a,11b-hexahydro-2H-6,9-epoxy-1,4-dioxacyclodeca[cd]pentalene-2,7(4aH)-dione|(2aS,3R,4aS,6R,11aR,11bR)-3-hydroxy-10-(hydroxymethyl)-3-isopropenyl-2a,6-dimethyl-2a,3,5,6,11a,11b-hexahydro-2H-6,9-epoxy-1,4-dioxacyclodeca[cd]pentalene-2,7(4aH)-dione|15-hydroxy-remantholide C|15-hydroxyeremantholide C

(2aS,3R,4aS,6R,11aR,11bR)-3-hydroxy-10-(hydroxymethyl)-3-isopropenyl-2a,6,10-trimethyl-2a,3,5,6,11a,11b-hexahydro-2H-6,9-epoxy-1,4-dioxacyclodeca[cd]pentalene-2,7(4aH)-dione|(2aS,3R,4aS,6R,11aR,11bR)-3-hydroxy-10-(hydroxymethyl)-3-isopropenyl-2a,6-dimethyl-2a,3,5,6,11a,11b-hexahydro-2H-6,9-epoxy-1,4-dioxacyclodeca[cd]pentalene-2,7(4aH)-dione|15-hydroxy-remantholide C|15-hydroxyeremantholide C

ethyl (+)-cyanidan-3-ol-8-carboxylate

1,2,3,4,5-Penta-O-acetylpentitol

3-(3-Hydroxy-4-methoxybenzyl)-3,5,6-trihydroxy-7-methoxychroman-4-one

1-(p-hydroxybenzoyl)-2-methoxy-4,7-dihydroxy-9,10-dihydrophenanthrene

metasequirin E

A natural product found in Metasequoia glyptostroboides.

inumakilactone

A diterpene lactone isolated from Podocarpus latifolius and has been shown to exhibit inhibitory activity against activator protein 1 (AP-1).

5-(hydroxymethyl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]-oxy}-4,5,6,8-tetrahydro-1H,3H-pyrano[3,4-c]-pyran-1-one|enicostemin B

2,5,6-Trihydroxy-6,7,8-trimethoxyflavanone

Pestalotether D

podocarflavone A

5beta,6beta-dihydroxyantirrhide

1alpha,8alpha-diacetoxy-2-oxo-eudesman-3,7(11)-dien-8,12-olide

3-acetoxy-4-deoxybostrycin

5,2,4-trihydroxy-6,7,5-trimethoxyflavone

Decarboxyhypothamnolic acid

4-(4-hydroxybenzyl)phenyl glucoside|gastrodin B

4,5-dihydro-2-(4-hydroxy-3-methoxyphenyl)-3H-furo[2,3,4-kl]pyrrolo[4,3,2-fg][3]benzazocine-3,6(8H)-dionem|calanthumindole

SCHEMBL16869506

hypoalectorialic acid

18-O-Demethyldiosbulbi F

rezishanone A

SCHEMBL14079290

SS-43405E

phomosine B

4beta,15-epoxymiller-9Z-enolide

2-Deoxy-D-araabino-hexonic acid,9CI,8CI-Me ester, tetra-Ac

2-beta-D-glucopyranosyloxy-1-hydroxytrideca-5,7,9,11-tetrayne|2beta-D-glucopyranosyloxy-1-hydroxytrideca-5,7,9,11-tetrayne|Cytopiloyne

canaliculatin

4-Hydroxy-5-(3-methylbutyryl)-9-phenyl-1,6-dioxa-7H-benzo[e]indene-7-one

15-methoxyhalenaquinone

Methyl 18-Bromo-(9Z,15Z,17E)-octadeca-9,15,17-triene-5,7-diynoate

(7R)-7-hydroxytaxiresinol

A lignan that consists of tetrahydrofuran substituted by a 3,4-dihydroxyphenyl group at position 2, a hydroxymethyl group at position 3 and a hydroxy(4-hydroxy-3-methoxyphenyl)methyl group at position 4. It has been isolated from Taxus yunnanensis. D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065692 - Cytochrome P-450 CYP3A Inhibitors

(1S,4R,7S,8S,10R*)-1-hydroxy-1,4,7,10-diepoxy-8-methacryloxygermacra-5Z,11(13)-dien-6,12-olide

(1S*,4R*,7S*,8S*,10R*)-1-hydroxy-1,4,7,10-diepoxy-8-methacryloxygermacra-5Z,11(13)-dien-6,12-olide

4beta-hydroxy-4,5-dihydro-5,6-dehydrovernonallenolide

O1-(4-phenoxy-phenyl)-beta-D-glucopyranuronic acid|O1-(4-Phenoxy-phenyl)-beta-D-glucopyranuronsaeure

3xi,4xi-epoxy-5,6-dehydroeurycomalactone

9-O-Acetylsalograviolide A

5beta-hydroxy-4,5-dihydro-15-desoxygoyazensolide

Apollinin

(6S,7R,8S)-8,15-diacetoxy-14-oxomelampa-1(10),4,11(13)-trien-12,6-olide|(6S,7R,8S)-8,15-diacetoxymelampa-1(10),4,11(13)-trien-14-al-6,12-olide|(E,E)-8alpha,15-Diacetoxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olid

(6S,7R,8S)-8,15-diacetoxy-14-oxomelampa-1(10),4,11(13)-trien-12,6-olide|(6S,7R,8S)-8,15-diacetoxymelampa-1(10),4,11(13)-trien-14-al-6,12-olide|(E,E)-8alpha,15-Diacetoxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olid

8alpha,13-diacetoxy-7,11-dehydro-11,13-dihydroanhydroverlotorin

Arizonin A2

Excavacoumarin F

5-hydroxy-6,8-dimethoxy-2-benzyl-4h-naphtho[2,3-b]-pyran-4-one

Asn Asp Asp

DAF-2

2-(3,6-dihydroxy-4,5-diamino-9H-xanthen-9-yl)-benzoic acid

D004396 - Coloring Agents > D005456 - Fluorescent Dyes > D005452 - Fluoresceins D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents

2,3,3a,4,5,6,7,8,9,11a-Decahydro-9-hydroxy-6,10-dimethyl-3-methylene-2,7-dioxo-6,9-epoxycyclodeca[b]furan-4-yl ester 2-methyl-2-propenoic acid

hydratedusnate

Glabrescone C

(-)-Cleistenolide

ACon1_001022

[(3aS,4S,5S,6E,10Z,11aR)-6-formyl-5-hydroxy-10-(hydroxymethyl)-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylprop-2-enoate

7-amino-8-(2,4-dihydroxy-6-methylphenyl)-1,9-dimethyl-3H-phenoxazin-3-one

relative retention time with respect to 9-anthracene Carboxylic Acid is 1.101 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.098 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.096 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.092

MLS000574930-01!

3,8-dihydroxy-1-methoxy-4-(1,3,4-trihydroxybutan-2-yl)xanthen-9-one

NCGC00380612-01!3,8-dihydroxy-1-methoxy-4-(1,3,4-trihydroxybutan-2-yl)xanthen-9-one

methyl 2-hydroxy-6-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoate

NCGC00180813-03!methyl 2-hydroxy-6-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoate

methyl 2-hydroxy-6-(2-hydroxy-4-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoate

NCGC00381149-01!methyl 2-hydroxy-6-(2-hydroxy-4-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoate

C19H22O7_(3aS,4S,5S,6E,10Z,11aR)-6-Formyl-5-hydroxy-10-(hydroxymethyl)-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl methacrylate

NCGC00380470-01_C19H22O7_(3aS,4S,5S,6E,10Z,11aR)-6-Formyl-5-hydroxy-10-(hydroxymethyl)-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl methacrylate

Piretanide

methyl 2-hydroxy-6-(2-hydroxy-4-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoate [IIN-based: Match]

NCGC00381149-01!methyl 2-hydroxy-6-(2-hydroxy-4-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoate [IIN-based: Match]

methyl 2-hydroxy-6-(2-hydroxy-4-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoate [IIN-based on: CCMSLIB00000848992]

NCGC00381149-01!methyl 2-hydroxy-6-(2-hydroxy-4-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoate [IIN-based on: CCMSLIB00000848992]

FR140423

3-(Difluoromethyl)-1-(4-methoxyphenyl)-5-(4-(methylsulfinyl)phenyl)pyrazole

C18H16F2N2O2S (362.09)

CONFIDENCE standard compound; INTERNAL_ID 660; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8446; ORIGINAL_PRECURSOR_SCAN_NO 8442 CONFIDENCE standard compound; INTERNAL_ID 660; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8470; ORIGINAL_PRECURSOR_SCAN_NO 8469 CONFIDENCE standard compound; INTERNAL_ID 660; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8485; ORIGINAL_PRECURSOR_SCAN_NO 8483 CONFIDENCE standard compound; INTERNAL_ID 660; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8519; ORIGINAL_PRECURSOR_SCAN_NO 8516 CONFIDENCE standard compound; INTERNAL_ID 660; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8520; ORIGINAL_PRECURSOR_SCAN_NO 8517 CONFIDENCE standard compound; INTERNAL_ID 660; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8527; ORIGINAL_PRECURSOR_SCAN_NO 8525

8-2-Amino-3,8-dimmethylimidazo[4,5-f]quinoxaline-guanine

C16H14N10O1 (362.1352)

[(3aS,4S,5S,6E,10Z,11aR)-6-formyl-5-hydroxy-10-(hydroxymethyl)-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylprop-2-enoate_major

Isogoyazensolide

Cys Gly Pro Ser

(2S)-2-{[(2S)-1-{2-[(2R)-2-amino-3-sulfanylpropanamido]acetyl}pyrrolidin-2-yl]formamido}-3-hydroxypropanoic acid

Cys Gly Ser Pro

(2S)-1-[(2S)-2-{2-[(2R)-2-amino-3-sulfanylpropanamido]acetamido}-3-hydroxypropanoyl]pyrrolidine-2-carboxylic acid

Cys Pro Gly Ser

(2S)-2-(2-{[(2S)-1-[(2R)-2-amino-3-sulfanylpropanoyl]pyrrolidin-2-yl]formamido}acetamido)-3-hydroxypropanoic acid

Cys Pro Ser Gly

2-[(2S)-2-{[(2S)-1-[(2R)-2-amino-3-sulfanylpropanoyl]pyrrolidin-2-yl]formamido}-3-hydroxypropanamido]acetic acid

Cys Ser Gly Pro

(2S)-1-{2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-hydroxypropanamido]acetyl}pyrrolidine-2-carboxylic acid

Cys Ser Pro Gly

2-{[(2S)-1-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-hydroxypropanoyl]pyrrolidin-2-yl]formamido}acetic acid

Asp Asp Gly Gly

(3S)-3-[(2S)-2-amino-3-carboxypropanamido]-3-({[(carboxymethyl)carbamoyl]methyl}carbamoyl)propanoic acid

Asp Gly Asp Gly

(3S)-3-{2-[(2S)-2-amino-3-carboxypropanamido]acetamido}-3-[(carboxymethyl)carbamoyl]propanoic acid

Asp Gly Gly Asp

(2S)-2-(2-{2-[(2S)-2-amino-3-carboxypropanamido]acetamido}acetamido)butanedioic acid

Gly Cys Pro Ser

(2S)-2-{[(2S)-1-[(2R)-2-(2-aminoacetamido)-3-sulfanylpropanoyl]pyrrolidin-2-yl]formamido}-3-hydroxypropanoic acid

Gly Cys Ser Pro

(2S)-1-[(2S)-2-[(2R)-2-(2-aminoacetamido)-3-sulfanylpropanamido]-3-hydroxypropanoyl]pyrrolidine-2-carboxylic acid

Gly Asp Asp Gly

(3S)-3-[(2S)-2-(2-aminoacetamido)-3-carboxypropanamido]-3-[(carboxymethyl)carbamoyl]propanoic acid

Gly Asp Gly Asp

(2S)-2-{2-[(2S)-2-(2-aminoacetamido)-3-carboxypropanamido]acetamido}butanedioic acid

Gly Gly Asp Asp

(2S)-2-[(2S)-2-[2-(2-aminoacetamido)acetamido]-3-carboxypropanamido]butanedioic acid

Gly Pro Cys Ser

(2S)-2-[(2R)-2-{[(2S)-1-(2-aminoacetyl)pyrrolidin-2-yl]formamido}-3-sulfanylpropanamido]-3-hydroxypropanoic acid

Gly Pro Ser Cys

(2R)-2-[(2S)-2-{[(2S)-1-(2-aminoacetyl)pyrrolidin-2-yl]formamido}-3-hydroxypropanamido]-3-sulfanylpropanoic acid

Gly Ser Cys Pro

(2S)-1-[(2R)-2-[(2S)-2-(2-aminoacetamido)-3-hydroxypropanamido]-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid

Gly Ser Pro Cys

(2R)-2-{[(2S)-1-[(2S)-2-(2-aminoacetamido)-3-hydroxypropanoyl]pyrrolidin-2-yl]formamido}-3-sulfanylpropanoic acid

Asp Asp Asn

Pro Cys Gly Ser

(2S)-3-hydroxy-2-{2-[(2R)-2-[(2S)-pyrrolidin-2-ylformamido]-3-sulfanylpropanamido]acetamido}propanoic acid

Pro Cys Ser Gly

2-[(2S)-3-hydroxy-2-[(2R)-2-[(2S)-pyrrolidin-2-ylformamido]-3-sulfanylpropanamido]propanamido]acetic acid

Pro Gly Cys Ser

(2S)-3-hydroxy-2-[(2R)-2-{2-[(2S)-pyrrolidin-2-ylformamido]acetamido}-3-sulfanylpropanamido]propanoic acid

Pro Gly Ser Cys

(2R)-2-[(2S)-3-hydroxy-2-{2-[(2S)-pyrrolidin-2-ylformamido]acetamido}propanamido]-3-sulfanylpropanoic acid

Pro Ser Cys Gly

2-[(2R)-2-[(2S)-3-hydroxy-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]-3-sulfanylpropanamido]acetic acid

Pro Ser Gly Cys

(2R)-2-{2-[(2S)-3-hydroxy-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]acetamido}-3-sulfanylpropanoic acid

Ser Cys Gly Pro

(2S)-1-{2-[(2R)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-sulfanylpropanamido]acetyl}pyrrolidine-2-carboxylic acid

Ser Cys Pro Gly

2-{[(2S)-1-[(2R)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-sulfanylpropanoyl]pyrrolidin-2-yl]formamido}acetic acid

Ser Gly Cys Pro

(2S)-1-[(2R)-2-{2-[(2S)-2-amino-3-hydroxypropanamido]acetamido}-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid

Ser Gly Pro Cys

(2R)-2-{[(2S)-1-{2-[(2S)-2-amino-3-hydroxypropanamido]acetyl}pyrrolidin-2-yl]formamido}-3-sulfanylpropanoic acid

Ser Pro Cys Gly

2-[(2R)-2-{[(2S)-1-[(2S)-2-amino-3-hydroxypropanoyl]pyrrolidin-2-yl]formamido}-3-sulfanylpropanamido]acetic acid

Ser Pro Gly Cys

(2R)-2-(2-{[(2S)-1-[(2S)-2-amino-3-hydroxypropanoyl]pyrrolidin-2-yl]formamido}acetamido)-3-sulfanylpropanoic acid

Asp Asn Asp

(3S)-3,7-dihydroxy-2,4,5,8-tetramethoxyisoflavan

Val-His-OH

(S)-4-(1H-imidazol-4-yl)-2-(3-isopropoxy-4-nitrobenzamido)butanoic acid

C16H18N4O6 (362.1226)

His-Abu-OH

(S)-2-(3-(2-(1H-imidazol-4-yl)ethoxy)-4-nitrobenzamido)pentanoic acid

C16H18N4O6 (362.1226)

Gibberellin A93

5,15-dihydroxy-11-methyl-6-methylidene-17-oxo-13,16-dioxahexacyclo[9.4.2.1^{5,8}.0^{1,10}.0^{2,8}.0^{12,14}]octadecane-9-carboxylic acid

2',8-Dihydroxy-3',4',5',7-tetramethoxyflavan

2-(2-hydroxy-3,4,5-trimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-1-benzopyran-8-ol

Gibberellin A21

5-hydroxy-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1^{5,8}.0^{1,10}.0^{2,8}]heptadecane-9,11-dicarboxylic acid

Diosbulbin C

3-(furan-3-yl)-8-hydroxy-5-methyl-14-oxo-2,13-dioxatetracyclo[10.2.1.0^{1,5}.0^{6,11}]pentadecane-10-carboxylic acid

Gibberellin A87

4,5,12-trihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1^{5,8}.0^{1,10}.0^{2,8}]heptadec-13-ene-9-carboxylic acid

Zanthobisquinolone

4-hydroxy-3-[(4-hydroxy-1-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-1-methyl-1,2-dihydroquinolin-2-one

Methyl 18-bromooctadec-17-en-5,7,15-triynoate

Methyl 18-bromo-17E-octadecen-5,7,15-triynoate

Methyl 18-bromo-17Z-octadecen-5,7,15-triynoate

Methyl 18-bromo-9E,15E,17E-octadecatrien-5,7-diynoate

Methyl 18-bromooctadec-17-en-5,7,15-triynoate

Methyl 18-bromo-17E-octadecen-5,7,15-triynoate

C19H23O2Br (362.0881)

Methyl 18-bromo-17Z-octadecen-5,7,15-triynoate

C19H23O2Br (362.0881)

Methyl 18-bromo-9E,15E,17E-octadecatrien-5,7-diynoate

C19H23O2Br (362.0881)

Dimerostin

Austrobuxusin M

ethyl 2-amino-3-nitro-4,6-diphenylbenzoate

Bis-AT-AF

C17H16F6N2 (362.1218)

3-[[2-(3-anilinophenoxy)acetyl]amino]benzoic acid

3,3,4,4,5,5,6,6,6-nonafluorohexyl-di(propan-2-yl)silane

C12H19F9Si (362.1112)

3-[[2-(4-anilinophenoxy)acetyl]amino]benzoic acid

Fmoc-Py-OH

5-BROMO-2-(2,4-DI-TERT-BUTYLPHENOXY)PYRIMIDINE

C18H23BrN2O (362.0994)

Methyl 4,6-diacetoxy-5,7-dimethoxy-2-naphthoate

7-chloro-1-(2,3-dihydroxypropyl)-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one

C18H16ClFN2O3 (362.0833)

3,4,6-Tri-O-acetyl-a-D-glucopyranose 1,2-(methyl orthoacetate)

5-CHLORO-1,3-DIHYDRO-1,3,3-TRIMETHYLSPIRO[2 H-INDOLE-2,3-[3 H]NAPHTH[2,1-B][1,4]OXAZINE]

C22H19ClN2O (362.1186)

2,2-Bis(3-amino-4-methylphenyl)hexafluoropropane

C17H16F6N2 (362.1218)

2,2-DIMETHYL-5-[(4-MORPHOLINO-3-NITROPHENYL)METHYLENE]-1,3-DIOXANE-4,6-DIONE

C17H18N2O7 (362.1114)

RS 23597-190

C16H24Cl2N2O3 (362.1164)

ethyl 1,6-dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-3-carboxylate,methyl sulfate

C14H22N2O7S (362.1148)

Pyrano[2,3-c]pyrazole-5-carbonitrile,6-amino-4-(4-chlorophenyl)-1,4-dihydro-3-methyl-1-phenyl-

C20H15ClN4O (362.0934)

3,4,6-Tri-O-acetyl-α-D-galactopyranose 1,2-(methyl orthoacetate)

N4-(3-Chloro-4-fluorophenyl)-7-(2-methoxyethoxy)quinazoline-4,6-diamine

C17H16ClFN4O2 (362.0946)

4-Benzyl-3-(butylamino)-5-sulfamoylbenzoic acid

METHYL 6-(4-(((BENZYLOXY)CARBONYL)AMINO)PHENYL)PICOLINATE

3-cyclopentyl-2-(3,4-dichlorophenyl)-N-pyridin-2-ylpropanamide

C19H20Cl2N2O (362.0953)

4-[3-(3,4-dicyanophenoxy)phenoxy]benzene-1,2-dicarbonitrile

C22H10N4O2 (362.0804)

c-Met inhibitor 1

C17H14N8S (362.1062)

Piperazine-1,4-bis(2-hydroxypropanesulfonic acid) dihydrate

C10H22N2O8S2 (362.0818)

Fmoc-d-dap-oh hcl

C18H19ClN2O4 (362.1033)

N-(5-(5-FLUORO-6-METHYLPYRIDIN-2-YL)-4-(QUINOXALIN-6-YL)-1H-IMIDAZOL-2-YL)ACETAMIDE

C19H15FN6O (362.1291)

diphacinone-sodium

C23H15NaO3 (362.0919)

b-D-Glucopyranoside, methyl,2,3,4,6-tetraacetate

1,4-Bis(2-benzoxazolyl)naphthalene

C24H14N2O2 (362.1055)

(R)-3-((6,7,8,9-TETRAHYDRO-5H-BENZO[7]ANNULEN-5-YL)THIO)-5-UREIDOISOTHIAZOLE-4-CARBOXAMIDE

C16H18N4O2S2 (362.0871)

1,5-Benzothiazepin-4(5H)-one,5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-phenyl-, hydrochloride (1:1)

C19H23ClN2OS (362.122)

Benzyl 3-(((benzyloxy)carbonyl)amino)picolinate

1,5-diamino-4,8-dihydroxy(4-hydroxyphenyl)anthraquinone

2,3-DI(P-TOLYL)-5-PHENYLTETRAZOLIUM CHLORIDE

C21H19ClN4 (362.1298)

4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]-N,N-dimethylaniline,chloride

C17H19ClN4OS (362.0968)

Picafibrate

C18H19ClN2O4 (362.1033)

2,3-BIS(3-METHYLPHENYL)-5-PHENYLTETRAZOLIUM CHLORIDE

C21H19ClN4 (362.1298)

Etoricoxib D4

C18H11D4ClN2O2S (362.0794)

2-phenoxyethoxycarbonyloxy 2-phenoxyethyl carbonate

dabsyl-glycine

C16H18N4O4S (362.1049)

Febuxostat impurity 6

disperse blue 35

Disperse Blue BGL

Landipirdine

C18H19FN2O3S (362.11)

C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist

FLUORESCENT WHITENING AGENT KCB

C24H14N2O2 (362.1055)

Trimethyl[1-(2,6-xylylcarbamoyl)ethyl]ammonium iodide

C14H23IN2O (362.0855)

Fmoc-Dap-OH.HCl

C18H19ClN2O4 (362.1033)

Crotepoxide

Methyl 7-methoxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylate

Methanone,1,1-[1,1-biphenyl]-2,2-diylbis[1-phenyl-

C26H18O2 (362.1307)

a-D-Glucopyranoside, methyl,2,3,4,6-tetraacetate

4-phenylmethoxy-3-phenylmethoxycarbonylbenzoic acid

N,N-Diethyl-2-[(2-Thienylcarbonyl)amino]-4,5,6,7-Tetrahydro-1-Benzothiophene-3-Carboxamide

C18H22N2O2S2 (362.1123)

N-[(1s)-2-Amino-1-Phenylethyl]-5-(1h-Pyrrolo[2,3-B]pyridin-4-Yl)thiophene-2-Carboxamide

C20H18N4OS (362.1201)

(+/-)-E-Homocamptothecin

Pentazirinocyclodiphosphathiazene

C10H20N8OP2S (362.0956)

5Z-7-Oxozeaenol

A macrolide that is the 7-oxo derivative of zeaenol (the 5Z stereoisomer). Isolated from Fungi, it exhibits cytotoxic, antibacterial and inhibitory activity against NF-kappaB.

homocamptothecin

N-carbamoyl-2-(triphenylphosphoranylidene)acetamide

C21H19N2O2P (362.1184)

5-[3,4-dihydro-1H-isoquinolin-2-yl(phenyl)methyl]-6-thiazolo[3,2-b][1,2,4]triazolol

C20H18N4OS (362.1201)

2-Ethyl-3-[(4-methoxyphenyl)methyl][1]benzopyrano[2,3-d]pyrimidine-4,5-dione

(R)-5-(3-Fluorophenyl)-N-(piperidin-3-yl)-3-ureidothiophene-2-carboxamide

C17H19FN4O2S (362.1213)

N-[3-cyano-4-[(4-methylphenyl)thio]phenyl]-4-fluorobenzamide

C21H15FN2OS (362.0889)

(Z)-5-[(5-hydroxy-7-methoxy-2-methyl-4-oxochromen-6-yl)methoxy]-3-methyl-5-oxopent-3-enoic acid

4,5-bis(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole

(3aS,4R,9bR)-2,2-difluoro-4-(4-hydroxyphenyl)-6-(methoxymethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol

C20H20F2O4 (362.133)

3-{5-[Amino(iminio)methyl]-6-chloro-1H-benzimidazol-2-YL}-1,1-biphenyl-2-olate

C20H15ClN4O (362.0934)

Imidazole-derived cellobiose

C14H22N2O9 (362.1325)

(3R,5Z,8S,9S,11E)-8,9,16-Trihydroxy-14-methoxy-3-methyl-3,4,9,10-tetrahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione

6-Chloro-2-(2-hydroxy-biphenyl-3-YL)-1H-indole-5-carboxamidine

C21H17ClN3O+ (362.106)

N-[O-Phosphono-pyridoxyl]-isoleucine

C14H23N2O7P (362.1243)

2-[O-Phosphonopyridoxyl]-amino-hexanoic acid

C14H23N2O7P (362.1243)

Methyl 2-hydroxy-6-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoate

[6-Formyl-5-hydroxy-10-(hydroxymethyl)-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylprop-2-enoate

5-Hydroxy-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9,11-dicarboxylic acid

5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6-dimethoxy-2,3-dihydrochromen-4-one

4,5,12-Trihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid

5,15-Dihydroxy-11-methyl-6-methylidene-17-oxo-13,16-dioxahexacyclo[9.4.2.15,8.01,10.02,8.012,14]octadecane-9-carboxylic acid

4-Acetyl-6-(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)-3,5-dihydroxy-6-methylcyclohexa-2,4-dien-1-one

7,8-Didemethyl-8-hydroxy-5-deazariboflavin(1-)

C16H16N3O7- (362.0988)

6-(O-beta-D-glucopyranosyl) camalexin

Ligstroside-aglycone

(6E,12E)-9,10,18-trihydroxy-16-methoxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione

Hexaethylene glycol monophosphate

C12H27O10P (362.1342)

5-Chloro-7-[3-pyridinyl-(2-pyridinylamino)methyl]-8-quinolinol

C20H15ClN4O (362.0934)

6-(1,3-benzodioxol-5-yl)-N-(2-thiazolylmethyl)-4-quinazolinamine

C19H14N4O2S (362.0837)

4-(6-Amino-5-cyano-3-methyl-1,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl 2-furoate

C19H14N4O4 (362.1015)

4-chloro-N-[4-[3-(methylthio)anilino]-4-oxobutyl]benzamide

C18H19ClN2O2S (362.0856)

2-Furanyl-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazinyl]methanone

azanigerone A

An azaphilone that is the ester obtained by formal condensation of the carboxy group of 2,4-dimethylhexanoic acid with the tertiary hydroxy group of 7-hydroxy-7-methyl-6,8-dioxo-7,8-dihydro-6H-2-benzopyran-3-carboxylic acid.

N-[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]acetamide

1-(2-Methoxy-3-dibenzofuranyl)-3-(3-methylphenyl)thiourea

2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]-N-phenylacetamide

C19H14N4O2S (362.0837)

6-Methyl-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-3-quinolinecarbonitrile

C20H18N4OS (362.1201)

Benzoic acid [3,4-dihydroxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methyl ester

C17H18N2O7 (362.1114)

N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-2-phenoxyacetamide

N-[4-(1H-benzimidazol-2-yl)phenyl]-2-methyl-4-nitro-3-pyrazolecarboxamide

C18H14N6O3 (362.1127)

N-[(2-methoxyphenyl)-oxomethyl]-2-(4-morpholinyl)-4-thiazolecarbohydrazide

C16H18N4O4S (362.1049)

2-(4-Methylcyclohexylidene)-2-[4-(2-oxo-1-benzopyran-3-yl)-2-thiazolyl]acetonitrile

N,8-Dimethyl-N-(3-methylphenyl)-4-oxo-5H-thieno[3,2-C]quinoline-2-carboxamide

N-[[3-(hydroxymethyl)anilino]-sulfanylidenemethyl]-4-phenylbenzamide

Diphenyl (2R,3S)-3-hydroxy-2-methyl-1-oxopentyl methanephosphonate

C19H23O5P (362.1283)

2-[[(3-Methoxyanilino)-oxomethyl]-[(3-methyl-2-thiophenyl)methyl]amino]acetic acid ethyl ester

Asp-Asp-Asn

Asp-Asn-Asp

Cefadroxil(1-)

C16H16N3O5S- (362.0811)

A cephalosporin carboxylic acid anion having a 7beta-[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino side-chain, formed by proton loss from the carboxy group of the cephalosporin cefadroxil.

Asn-Asp-Asp

(1S,2S,4aR,4bR,7S,9S,9aR,10S,10aR)-2,7,9-trihydroxy-1-methyl-8-methylidene-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid

1-(2-phenylethyl)-5-[(E)-3-phenylprop-2-enoyl]-1,3-diazinane-2,4,6-trione

6-(3-Aminopropoxy)-4-(3-chloro-4-fluoroanilino)quinazolin-7-ol

C17H16ClFN4O2 (362.0946)

(5-Oxo-1,7-diphenylheptan-2-yl) hydrogen sulate

C19H22O5S (362.1188)

4-[2,4-Dihydroxy-3-(hydroxymethyl)-6-methylbenzoyl]oxy-2-hydroxy-3,6-dimethylbenzoic acid

[(3aS,4S,5S,6E,11aR)-6-formyl-5-hydroxy-10-(hydroxymethyl)-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylprop-2-enoate

[(6E,10Z)-6-formyl-5-hydroxy-10-(hydroxymethyl)-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylprop-2-enoate

[(3aS,4S,5S,6E,10E,11aR)-6-formyl-5-hydroxy-10-(hydroxymethyl)-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylprop-2-enoate

Antirrhinoside

CID 442063

2,8-Dihydroxy-3,4,5,7-tetramethoxyflavan

5E-7-oxozeaenol

A macrolide that is the 7-oxo derivative of zeaenol (the 5E stereoisomer). Isolated from Fungi, it exhibits cytotoxic, antibacterial and inhibitory activity against NF-kappaB.

ST 19:5;O7

ST 19:5;O2;S

C19H22O5S (362.1188)

BPDBA

C19H20Cl2N2O (362.0953)

BPDBA is a selective and noncompetitive betaine/GABA transporter (BGT-1) inhibitor with IC50s of 20 μM and 35 μM against human BGT-1 and mouse GAT2, respectively[1].

BZAD-01

C16H12F6N2O (362.0854)

BZAD-01 is a potent, selective and orally active inhibitor of NMDA NR2B subunit, with a Ki of 72 nM. BZAD-01 can improve postural asymmetry as well as Apomorphine-induced rotation[1].

DPBQ

C24H14N2O2 (362.1055)

DPBQ activates p53 and triggers apoptosis in a polyploid-specific manner, but does not inhibit topoisomerase or bind DNA. DPBQ elicits expression and phosphorylation of p53 and this effect is specific to tetraploid cells[1].

L-745870 (hydrochloride)

C18H20Cl2N4 (362.1065)

L-745870 hydrochloride is a potent, selective, brain-penetrant and orally active dopamine D4 receptor antagonist with a Ki of 0.43 nM. L-745870 hydrochloride shows weaker affinity for D2 (Ki of 960 nM) and D3 (Ki of 2300 nM) receptors, and exhibits moderate affinity for 5-HT2 receptors, sigma sites and α-adrenoceptors[1][2][3].

Velufenacin

C19H20ClFN2O2 (362.1197)

Velufenacin is a muscarinic receptor antagonist[1].

(1s,2e,4e)-1-[(1r,6s)-4-[(acetyloxy)methyl]-2,5-dioxo-7-oxabicyclo[4.1.0]hept-3-en-1-yl]-3-methyl-6-oxohexa-2,4-dien-1-yl acetate

(1r,2r,6s,7z,11s)-8-(hydroxymethyl)-3-methylidene-4,13-dioxo-5,14-dioxatricyclo[10.2.1.0²,⁶]pentadeca-7,12(15)-dien-11-yl 2-methylpropanoate

(2s)-2-(2,6-dihydroxyphenyl)-5-hydroxy-6,7,8-trimethoxy-2,3-dihydro-1-benzopyran-4-one

methyl (9z,15z,17e)-18-bromooctadeca-9,15,17-trien-5,7-diynoate

5-(acetyloxy)-4-hydroxy-3,6,9-trimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-8-yl acetate

(1s,3r,7z,9s,12s,13r,15r)-13-hydroxy-7-(hydroxymethyl)-3,12-dimethyl-13-(prop-1-en-2-yl)-10,14,16-trioxatetracyclo[7.5.1.1³,⁶.0¹²,¹⁵]hexadeca-5,7-diene-4,11-dione

(2s,4as,6as,7r,9r,10ar,10bs)-2-(furan-3-yl)-9-hydroxy-10b-methyl-4,6-dioxo-decahydronaphtho[2,1-c]pyran-7-carboxylic acid

1-hydroxy-2,3,4,5,7-pentamethoxyxanthen-9-one

5-hydroxy-6-[(2r)-2-methylbutanoyl]-4-phenylfuro[2,3-h]chromen-2-one

6-[(2,4-dihydroxy-3,6-dimethylbenzoyloxy)methyl]-2,4-dihydroxy-3-methylbenzoic acid

10-(hydroxymethyl)-6-methyl-3-methylidene-2,9-dioxo-3ah,4h,5h,8h,11ah-cyclodeca[b]furan-4-yl 2-(hydroxymethyl)prop-2-enoate

(3s,5z,8r,9r,11z)-8,9,16-trihydroxy-14-methoxy-3-methyl-4,8,9,10-tetrahydro-3h-2-benzoxacyclotetradecine-1,7-dione

(1s,4r,5s,8r,9s,10s,11r,12s,16r)-9,12-dihydroxy-4,11,15-trimethyl-3,7-dioxapentacyclo[8.8.0.0¹,⁵.0⁴,⁸.0¹¹,¹⁶]octadec-14-ene-6,13,18-trione

3,8-dihydroxy-1-methoxy-4-[(2r,3s)-1,3,4-trihydroxybutan-2-yl]xanthen-9-one

(2r,4s)-5,10-dihydroxy-4,8-dimethoxy-2-(2-oxopropyl)-2h,3h,4h-naphtho[2,3-b]pyran-6,9-dione

(3ar,4r,6as,9ar,9bs)-6a-hydroxy-9-methyl-3,6-dimethylidene-2-oxo-3ah,4h,5h,7h,9ah,9bh-azuleno[4,5-b]furan-4-yl (2z)-2,4-dihydroxybut-2-enoate

5-(4-hydroxy-7-methoxy-6-methyl-2h-1,3-benzodioxol-5-yl)-7-methoxy-6-methyl-2h-1,3-benzodioxol-4-ol

(1s,2r,6r,7s,9r,12s)-9-ethenyl-12-hydroxy-5,13-dimethylidene-4-oxo-3,11-dioxatricyclo[7.4.0.0²,⁶]tridecan-7-yl 2-(hydroxymethyl)prop-2-enoate

2-{[4a,5-dihydroxy-7-(hydroxymethyl)-1h,5h,7ah-cyclopenta[c]pyran-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

(2s)-2-(2-hydroxy-3,4,5-trimethoxyphenyl)-7-methoxy-3,4-dihydro-2h-1-benzopyran-8-ol

3-[(3,4-dihydroxyphenyl)methyl]-5,6-dihydroxy-7,8-dimethoxy-2,3-dihydro-1-benzopyran-4-one

(1s,2s,3s,4e,8s,15s,17s)-2-hydroxy-1,8,17-trimethyl-7,14,18-trioxatetracyclo[10.5.2.0³,¹⁵.0¹⁵,¹⁹]nonadeca-4,12(19)-diene-6,11,13-trione

10-hydroxy-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradeca-1(13),2-dien-9-yl 2-methylpropanoate

(1s,5r,6s,8r,12r,14s)-8,12-dimethyl-2-methylidene-3,11-dioxo-4,7,15-trioxatetracyclo[10.2.1.0¹,⁵.0⁶,⁸]pentadecan-14-yl 2-methylprop-2-enoate

(2e,4s,6e)-4-hydroxy-8-(4-hydroxy-6-methoxy-1-oxo-3h-2-benzofuran-5-yl)-2,6-dimethylocta-2,6-dienoic acid

[(1s,2r,7s,9s,11s,13s)-7-(acetyloxy)-9,13-dimethyl-4,10-dioxo-3-oxatetracyclo[7.4.0.0²,⁶.0¹¹,¹³]tridec-5-en-5-yl]methyl acetate

(1s,4s,6r,7r,9s,11s)-4-hydroxy-9-methoxy-2,10-dioxatricyclo[5.3.1.0⁴,¹¹]undecan-6-yl (2z)-3-(4-hydroxyphenyl)prop-2-enoate

(3ar,4s,5r,6s,7s,7ar)-7-hydroxy-6-methyl-3-methylidene-6-[(2r)-oxiran-2-yl]-2-oxo-5-(3-oxoprop-1-en-2-yl)-tetrahydro-3ah-1-benzofuran-4-yl 2-methylprop-2-enoate

2,3-dihydroirigenin

{"Ingredient_id": "HBIN004022","Ingredient_name": "2,3-dihydroirigenin","Alias": "NA","Ingredient_formula": "C18H18O8","Ingredient_Smile": "COC1=CC(=CC(=C1OC)O)C2COC3=CC(=C(C(=C3C2=O)O)OC)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15075","TCMID_id": "5646","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

2-caffeoyloxy-3-hydroxy-3-(3,4-dihydroxy-phenyl)propyl alcohol

{"Ingredient_id": "HBIN005434","Ingredient_name": "2-caffeoyloxy-3-hydroxy-3-(3,4-dihydroxy-phenyl)propyl alcohol","Alias": "NA","Ingredient_formula": "C18H18O8","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2915","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

4- o -methylerythrostominone

{"Ingredient_id": "HBIN010783","Ingredient_name": "4- o -methylerythrostominone","Alias": "NA","Ingredient_formula": "C18H18O8","Ingredient_Smile": "CC(=O)CC1CC(C2=C(C3=C(C(=C2O1)O)C(=O)C(=CC3=O)OC)O)OC","Ingredient_weight": "362.3 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7986","PubChem_id": "101036749","DrugBank_id": "NA"}

6-o-cis-p-coumaroyl-3α-o-methyl-7-deoxy-rehmaglutin a

{"Ingredient_id": "HBIN012656","Ingredient_name": "6-o-cis-p-coumaroyl-3\u03b1-o-methyl-7-deoxy-rehmaglutin a","Alias": "NA","Ingredient_formula": "C19H22O7","Ingredient_Smile": "COC1CC2C(CC3(C2C(O1)OC3)O)OC(=O)C=CC4=CC=C(C=C4)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "4171","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

6-o-cis-p-coumaroyl-3β-o-methyl-7-deoxy-rehmaglutin a