Exact Mass: 402.170325
Exact Mass Matches: 402.170325
Found 500 metabolites which its exact mass value is equals to given mass value 402.170325
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Clusin
Clusin is found in herbs and spices. Clusin is a constituent of Piper cubeba (cubeb pepper)
6-Hydroxy-9,9-dimethyl-5-(3-methyl-1-oxobutyl)-1-propyl-3H,9H-[1,2]-dioxolo[3',4':4,5]furo[2,3-f][1]benzopyran-3-one
6-Hydroxy-9,9-dimethyl-5-(3-methyl-1-oxobutyl)-1-propyl-3H,9H-[1,2]-dioxolo[3,4:4,5]furo[2,3-f][1]benzopyran-3-one is found in fruits. 6-Hydroxy-9,9-dimethyl-5-(3-methyl-1-oxobutyl)-1-propyl-3H,9H-[1,2]-dioxolo[3,4:4,5]furo[2,3-f][1]benzopyran-3-one is isolated from Mammea americana (mamey). 6-Hydroxy-9,9-dimethyl-5-(3-methyl-1-oxobutyl)-1-propyl-3H,9H-[1,2]-dioxolo[3,4:4,5]furo[2,3-f][1]benzopyran-3-one is an oxidation produced of Mammein.
2-(4-(3-(4-Acetyl-3-hydroxy-2-propylphenoxy)propoxy)phenoxy)acetic acid
L-165041 is a cell permeable PPARδ agonist, with Kis of 6 nM and appr 730 nM for PPARδ and PPARγ, respectively, and induces adipocyte differentiation in NIH-PPARδ cells.
[3aS-[3aalpha,4beta,5beta,6alpha,7alpha(Z),7abeta]]-4-(Acetyloxy)-6-ethenyl-5-(1-formylethenyl)octahydro-6-methyl-3-methylene-2-oxo-7-benzofuranyl ester 2-methyl-2-butenoic acid
9beta-Hydroxy-8beta-(5-acetoxy-tiglinoyloxy)-lasiolaenin
[3aS-[3aalpha,4beta(Z),5beta,6alpha,7alpha,7abeta]]-7-(Acetyloxy)-6-ethenyl-5-(1-formylethenyl)octahydro-6-methyl-3-methylene-2-oxo-4-benzofuranyl ester 2-methyl-2-butenoic acid
[3aS-[3aalpha,4alpha,5beta(Z),9alpha,9aalpha,9bbeta]]-4-(Acetyloxy)-2,3,3a,4,5,9,9a,9b-octahydro-9-hydroxy-6,9-dimethyl-3-methylene-2-oxoazuleno[4,5-b]furan-5-yl ester 2-methyl-2-butenoic acid
8beta-Hydroxy-9beta-(5-acetoxy-tiglinoyloxy)-lasiolaenin
[3aS-[3aalpha,4alpha,5beta(Z),9beta,9aalpha,9bbeta]]-4-(Acetyloxy)-2,3,3a,4,5,9,9a,9b-octahydro-9-hydroxy-6,9-dimethyl-3-methylene-2-oxoazuleno[4,5-b]furan-5-yl ester 2-methyl-2-butenoic acid
Antiarone K
AVE5638
C25H23FN2O2 (402.17434699999995)
CONFIDENCE standard compound; INTERNAL_ID 479; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8392; ORIGINAL_PRECURSOR_SCAN_NO 8390 CONFIDENCE standard compound; INTERNAL_ID 479; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8421; ORIGINAL_PRECURSOR_SCAN_NO 8418 CONFIDENCE standard compound; INTERNAL_ID 479; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8427; ORIGINAL_PRECURSOR_SCAN_NO 8425 CONFIDENCE standard compound; INTERNAL_ID 479; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8465; ORIGINAL_PRECURSOR_SCAN_NO 8463 CONFIDENCE standard compound; INTERNAL_ID 479; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8474; ORIGINAL_PRECURSOR_SCAN_NO 8472 CONFIDENCE standard compound; INTERNAL_ID 479; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8478; ORIGINAL_PRECURSOR_SCAN_NO 8477
(R,S)-5-methoxy-8-<(6,7-dihydroxy-3,7-dimethyl-2-octenyl)oxy>psoralen
15-acetyloxy-8beta-angeloyloxy-14-oxo-(4Z)-acanthospermolide
6beta-acetoxy-2-oxo-8beta-tigloyloxygermacra-3E,10(14),11(13)-trien-12,6alpha-olide
8beta-(4-acetoxytigloyloxy)-14-oxo-acanthospermolide|8beta-<4-acetoxytigloyloxy>-14-oxo-acanthospermolide|melampolide
(7S,8R,2R,3S,5R)-Delta8-2-hydroxy-5,5-dimethoxy-3,4-methylenedioxy-2,3,4,5-tetrahydro-2-oxo-7.3,8.5-neolignan|cinerin D
1,3,3aalpha,4alpha,9,9abeta-hexahydro-4-(4-hydroxy-3,5-dimethoxyphenyl)-5,7-dimethoxynaphtho[2,3-c]furan-6-ol|gaultherin C
(+)-2alpha-(3,4-dimethoxyphenyl)-6alpha-(3-hydroxy-4,5-dimethoxyphenyl)-3,7-dioxabicyclo[3.3.0]octane|De-O-methylmagnolin
2beta-Acetoxy-4a,7-dihydroxy-1beta-methyl-8-methylen-4aalpha,7beta-gibb-3-en-1alpha,10beta-dicarbonsaeure-1=>4a-lacton-10-methylester|2beta-acetoxy-4a,7-dihydroxy-1beta-methyl-8-methylene-4aalpha,7beta-gibb-3-ene-1alpha,10beta-dicarboxylic acid-1=>4a lactone-10-methyl ester|ent-3alpha-acetoxy-13-hydroxy-gibberella-1,16-dien-7-oic acid 7-mehyl ester 19,10-lactone
14alpha-hydroxy-7alpha-carboxyl-11,16-diketoapian-8-en-(20,6)-olied|yantuine I
Delta7-4-hydroxy-3,5,3,5-tetramethoxy-7-oxo-8-O-4-neolignan
3beta-hydroxy-8alpha-(5-acetoxyangeloyloxy)-eremanthin|3beta-hydroxy-8alpha-<5-acetoxyangeloyloxy>-eremanthin
(-)-traxillagenin|(2R,3R)-2-4-hydroxy-3-methoxybenzyl-3-3,4,5-trimethoxybenzylbutyrolactone|traxillagenin
3,4-Dimethoxybenzoic acid 1-(3,4-dimethoxyphenyl)-2-methyl-3-oxobutyl ester
rel-(7S,8R,1S,2R,3S,4S)-Delta8-4-acetoxy-2-hydroxi-3-methoxy-3,4-methylenedioxy-1,2,3,4,5,6-hexahydro-5-oxo-7.3,8.1-neolignan
(2R-trans) 2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-5-benzofuranpropanol acetate
2beta-acetoxy-7-keto-ent-clerodan-3,13-dien-18,19:16,15-diolide|2beta-Acetoxy-7-keto-neo-clerodan-3,13-dien-18,19:16,15-diolide
6-(3-Methyl-2-butenoyl),8-Ac-(1alpha,5beta,6alpha,8beta,9beta,10alpha)-6,8-Dihydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,9-olide
19-acetoxy-6,20:6,11beta-diepoxy-6,7-seco-ent-kaur-16-en-15-one-1beta,7-olide|enanderianin F
3,4-bis-(3,4-dimethoxy-benzyl)-3-hydroxy-dihydro-furan-2-one|Dimethylaether von Pinopalustrin|methyltrachelogenin
8beta-acetyloxy-15-angeloyloxy-14-oxo-(4Z)-acanthospermolide
6-Tigloyl,8-Ac-(1alpha,5beta,6alpha,8beta,9beta,10alpha)-6,8-Dihydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,9-olide|8-O-acetyl-desacyllinearifolin B-6-O-tiglate
(+)-4-hydroxy-2,6-di(3,4-dimethoxy)phenyl-3,7-dioxabicyclo[3.3.0]octane
comazaphilone A
An azaphilone that is 5,6,7,8-tetrahydro-1H-isochromene substituted by a hydroxy group at position 6, a methyl group at position 7, an oxo group at position 8, a propyl group at position 3 and a (4-hydroxy-2-methoxy-6-methylbenzoyl)oxy group at position 7. It has been isolated from Penicillium commune.
beilschminol A|rel-(7R,8R,7R,8R)-3-hydroxy-3,4-methylenedioxy-4,5,5-trimethoxy-7,7-epoxylignan
(7S,8R)-9?-dimethoxydihydroconifryl alcohol|viterolignan B
2-methoxy-4-{4-methoxy-6-[(2R*,3S*,4S*,5R*)-2,3,4,5-tetrahydro-5-methoxy-3,4-dimethyltetrahydrofuran-2-yl]-1,3-benzodioxol-5-yl}phenol|gymnothelignan R
1-(7-Methoxy-1,3-benzodioxol-5-yl)-2-[(2,6-dimethoxy-4-allylphenyl)oxy]-1-propanol
15alpha-acetoxy-6alpha-hydroxy-20-oxo-6,11-epoxy-6,7-seco-1alpha,7-olide-ent-kaur-9-(11),16-diene|isorosthin B
8beta-angeloyloxy-9alpha-acetoxy-14-oxo-acanthospermolide|8beta-Angeloyloxy-9alpha-acetoxy-14-oxoacanthospemolid
6beta-acetoxy-2-oxo-8beta-tigloyloxygermacra-4(15),10(14),11(13)-trien-12,6alpha-olide
5beta-acetoxy-2-oxo-8beta-tigloyloxygermacra-1(10)E,4(15),11(13)trien-12,6alpha-olide
[3aS-[3aalpha,4beta(Z),5beta,6alpha,7alpha,7abeta]]-7-(Acetyloxy)-6-ethenyl-5-(1-formylethenyl)octahydro-6-methyl-3-methylene-2-oxo-4-benzofuranyl ester 2-methyl-2-butenoic acid
(6R,7R,8R)-3-Oxo-8-acetoxysarracenyloxyhelianga-1(10),4,11(13)-trien-6,12-olide
9beta-acetoxy-8-O-(2,3-epoxy-2-methylbutyryl)-desacetyl-zuzubergenin|9beta-acetoxy-8-O-<2,3-epoxy-2-methylbutyryl>-desacetyl-zuzubergenin
1-[2,4-Dihydroxy-3-(3-hydroxy-2-methoxy-3-methylbutyl)-6-methoxyphenyl]-3-(4-hydroxyphenyl)propenone
3beta-hydroxy-8alpha-(4-acetoxyangeloyloxy)-eremanthin|3beta-hydroxy-8alpha-<4-acetoxyangeloyloxy>-eremanthin
(-)-(7R,8S,7E)-3,4,5,5-tetramethoxy-4,7-epoxy-8,3-neolign-7-ene-9,9-diol|woorenogenin
rel-(7R,8S,7S,8S)-4-hydroxy-4,5-methylenedioxy-3,5,3-trimethoxy-7,7-epoxylignan
(1S, 3S, 5R, 6R, 7R, 8S)-8-<2-(1-acetoxyethyl)-propenoyloxyl>-3-hydroxyguai-4(15), 10(14), 11(13)-triene-6,12-olide|(1S, 3S, 5R, 6R, 7R, 8S)-8-[2-(1-acetoxyethyl)-propenoyloxyl]-3-hydroxyguai-4(15), 10(14), 11(13)-triene-6,12-olide
2-Deoxo-8-O-acetyl pumilin|2-deoxo-8-O-acetyl-pumilin
5beta-acetoxy-2-oxo-8beta-tigloyloxygermacra-1(10)E,3Z,11(13)-trien-12,6alpha-olide
2alpha-hydroxy-7alpha-acetoxy-12-oxo-15:16-epoxy-neoclerodan-3,13(16),14-trien-18:19-olide|7-Ac-(ent-2beta,7beta)-15,16-Epoxy-2,7-dihydroxy-3,13(16)14-clerodatrien-18,19-olide
rel-(7S,8R,1S,4R,5R)-4-hidroxy-3,3,5-trimethoxy-4,5-methylenedioxy-6-oxo-Delta-1,3,5,2,8-8.1,7.5-neolignan
2-Deoxo-5-deoxy-8-O-acetyl-17,18-epoxy pumilin|2-deoxo-5-deoxy-8-O-acetyl-17,18-epoxy-pumilin
4-(4-hydroxy-2-methoxy-3,5,6-trimethylbenzoyl)oxy-2-methoxy-3,5,6-trimethylbenzoic acid
3,6-bis(3,4-dimethoxyphenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-ol
[2-[2-(2-methylpropanoyloxy)propan-2-yl]-7-oxo-2,3-dihydrofuro[3,2-g]chromen-3-yl] 2-methylpropanoate
C22H26O7_7-Hydroxy-7-methyl-8-oxo-3-propyl-5,6,7,8-tetrahydro-1H-isochromen-6-yl 2-hydroxy-4-methoxy-6-methylbenzoate
C22H26O7_6-Hydroxy-7-methyl-8-oxo-3-propyl-5,6,7,8-tetrahydro-1H-isochromen-7-yl 2-hydroxy-4-methoxy-6-methylbenzoate
C22H26O7_6(2H)-Benzofuranone, 3,3a,4,5-tetrahydro-5,7-dimethoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-3-methyl-3a-(2-propen-1-yl)-, (2R,3R,3aR,5R)
[2-[2-(2-methylpropanoyloxy)propan-2-yl]-7-oxo-2,3-dihydrofuro[3,2-g]chromen-3-yl] 2-methylpropanoate
(2R,3R,3aR,5R)-5,7-dimethoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-3-methyl-3a-prop-2-enyl-2,3,4,5-tetrahydro-1-benzofuran-6-one
3,6-bis(3,4-dimethoxyphenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-ol [IIN-based on: CCMSLIB00000847080]
[2-[2-(2-methylpropanoyloxy)propan-2-yl]-7-oxo-2,3-dihydrofuro[3,2-g]chromen-3-yl] 2-methylpropanoate [IIN-based: Match]
4-(4-hydroxy-2-methoxy-3,5,6-trimethylbenzoyl)oxy-2-methoxy-3,5,6-trimethylbenzoic acid [IIN-based: Match]
4-(4-hydroxy-2-methoxy-3,5,6-trimethylbenzoyl)oxy-2-methoxy-3,5,6-trimethylbenzoic acid [IIN-based on: CCMSLIB00000847923]
3,6-bis(3,4-dimethoxyphenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-ol [IIN-based: Match]
[2-[2-(2-methylpropanoyloxy)propan-2-yl]-7-oxo-2,3-dihydrofuro[3,2-g]chromen-3-yl] 2-methylpropanoate [IIN-based on: CCMSLIB00000848909]
L-165041
CONFIDENCE standard compound; INTERNAL_ID 353; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5390; ORIGINAL_PRECURSOR_SCAN_NO 5386 CONFIDENCE standard compound; INTERNAL_ID 353; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5389; ORIGINAL_PRECURSOR_SCAN_NO 5387 CONFIDENCE standard compound; INTERNAL_ID 353; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5422; ORIGINAL_PRECURSOR_SCAN_NO 5420 CONFIDENCE standard compound; INTERNAL_ID 353; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5409; ORIGINAL_PRECURSOR_SCAN_NO 5406 CONFIDENCE standard compound; INTERNAL_ID 353; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5488; ORIGINAL_PRECURSOR_SCAN_NO 5486 CONFIDENCE standard compound; INTERNAL_ID 353; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5414; ORIGINAL_PRECURSOR_SCAN_NO 5413 CONFIDENCE standard compound; INTERNAL_ID 353; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10028; ORIGINAL_PRECURSOR_SCAN_NO 10026 CONFIDENCE standard compound; INTERNAL_ID 353; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10047; ORIGINAL_PRECURSOR_SCAN_NO 10042 CONFIDENCE standard compound; INTERNAL_ID 353; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10073; ORIGINAL_PRECURSOR_SCAN_NO 10069 CONFIDENCE standard compound; INTERNAL_ID 353; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10089; ORIGINAL_PRECURSOR_SCAN_NO 10084 CONFIDENCE standard compound; INTERNAL_ID 353; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10068; ORIGINAL_PRECURSOR_SCAN_NO 10066 CONFIDENCE standard compound; INTERNAL_ID 353; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10106; ORIGINAL_PRECURSOR_SCAN_NO 10104 L-165041 is a cell permeable PPARδ agonist, with Kis of 6 nM and appr 730 nM for PPARδ and PPARγ, respectively, and induces adipocyte differentiation in NIH-PPARδ cells.
[2-[2-(2-methylpropanoyloxy)propan-2-yl]-7-oxo-2,3-dihydrofuro[3,2-g]chromen-3-yl] 2-methylpropanoate_major
Ala Asp Pro Thr
Ala Asp Thr Pro
Ala Glu Pro Ser
Ala Glu Ser Pro
Ala Pro Asp Thr
Ala Pro Glu Ser
Ala Pro Ser Glu
Ala Pro Thr Asp
Ala Ser Glu Pro
Ala Ser Pro Glu
Ala Thr Asp Pro
Ala Thr Pro Asp
Asp Ala Pro Thr
Asp Ala Thr Pro
Asp Pro Ala Thr
Asp Pro Thr Ala
Asp Thr Ala Pro
Asp Thr Pro Ala
Glu Ala Pro Ser
Glu Ala Ser Pro
Glu Gly Pro Thr
Glu Gly Thr Pro
Glu Pro Ala Ser
Glu Pro Gly Thr
Glu Pro Ser Ala
Glu Pro Thr Gly
Glu Ser Ala Pro
Glu Ser Pro Ala
Glu Thr Gly Pro
Glu Thr Pro Gly
Gly Glu Pro Thr
Gly Glu Thr Pro
Gly Pro Glu Thr
Gly Pro Thr Glu
Gly Thr Glu Pro
Gly Thr Pro Glu
Pro Ala Asp Thr
Pro Ala Glu Ser
Pro Ala Ser Glu
Pro Ala Thr Asp
Pro Asp Ala Thr
Pro Asp Thr Ala
Pro Glu Ala Ser
Pro Glu Gly Thr
Pro Glu Ser Ala
Pro Glu Thr Gly
Pro Gly Glu Thr
Pro Gly Thr Glu
Pro Ser Ala Glu
Pro Ser Glu Ala
1-Pyridin-2-yl-9H-beta-carboline
Canellin E
Lorajmine
C22H27ClN2O3 (402.17101020000007)
C - Cardiovascular system > C01 - Cardiac therapy > C01B - Antiarrhythmics, class i and iii > C01BA - Antiarrhythmics, class ia C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents
l-n-valyl-l-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid benzyl ester hcl
C22H27ClN2O3 (402.17101020000007)
L-N-VALYL-L-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID BENZYL ESTER HYDROCHLORIDE
C22H27ClN2O3 (402.17101020000007)
SKF-96365
C22H27ClN2O3 (402.17101020000007)
D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators
[1,1-Biphenyl]-4-methanamine, N-(2,3-dihydro-1H-inden-2-yl)-3,5-difluoro-3-(1H-1,2,4-triazol-5-yl)-
C24H20F2N4 (402.16559440000003)
GSK1521498 free base is a potent and selective μ-opioid receptor (MOR) antagonist. GSK1521498 free base has the potential for disorders of compulsive consumption of food, alcohol, and agents[1].
1-{3-[1-({5-[(2-Fluorophenyl)ethynyl]furan-2-yl}carbonyl)piperidin-4-yl]phenyl}methanamine
C25H23FN2O2 (402.17434699999995)
4-(4-Hydroxy-2-methoxy-3,5,6-trimethylbenzoyl)oxy-2-methoxy-3,5,6-trimethylbenzoic acid
2-(3-(Isobutyryloxy)-7-oxo-2,3-dihydro-7H-furo[3,2-g]chromen-2-yl)propan-2-yl isobutyrate
5,7-Dimethoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-3-methyl-3a-prop-2-enyl-2,3,4,5-tetrahydro-1-benzofuran-6-one
Oxygenated xanthohumol
A member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 4, 2 and 4, a methoxy group at position 6 and a 2-hydroxy-3-methoxy-3-methylbutyl group at position 3. It has been isolated as a racemate from Humulus lupulus and has been shown to exhibit inhibitory activity against NO production.
6-amino-4-(2,5-dimethoxyphenyl)-3-methyl-1-(4-methylphenyl)-4H-pyrano[2,3-c]pyrazole-5-carbonitrile
(-)-(7R,8S,7E)-3,4,5,5-tetramethoxy-4,7-epoxy-8,3-neolign-7-ene-9,9-diol
A neolignan isolated from the stems of Sinocalamus affinis.
N-(2-methylcyclohexyl)-5-phenyl-7-(trifluoromethyl)-3-pyrazolo[1,5-a]pyrimidinecarboxamide
2-[4-[3-[3-Hydroxy-4-(2-oxoethyl)-2-propylphenoxy]propoxy]phenoxy]acetic acid
N-[2-[1-methyl-5-[[(4-methylphenyl)-oxomethyl]amino]-2-benzimidazolyl]ethyl]-2-furancarboxamide
1-[2-(4-methoxyphenyl)ethyl]-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine
4-fluoro-N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(4-pyrimidinylmethylamino)ethyl]-3-oxanyl]benzamide
4-fluoro-N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(pyrimidin-4-ylmethylamino)ethyl]oxan-3-yl]benzamide
4-fluoro-N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(4-pyrimidinylmethylamino)ethyl]-3-oxanyl]benzamide
4-fluoro-N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(4-pyrimidinylmethylamino)ethyl]-3-oxanyl]benzamide
4-fluoro-N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(4-pyrimidinylmethylamino)ethyl]-3-oxanyl]benzamide
N-[(2S,3R,6R)-6-[2-[[(2-fluorophenyl)-oxomethyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-pyrazinecarboxamide
N-[(2S,3S,6R)-6-[2-[[(2-fluorophenyl)-oxomethyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-pyrazinecarboxamide
N-[(2S,3R,6S)-6-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-2-pyrazinecarboxamide
N-[(2S,3S,6S)-6-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-2-pyrazinecarboxamide
N-[(2R,3R,6S)-6-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-2-pyrazinecarboxamide
(6R,7R,8R)-7-[4-(2-cyclopropylethynyl)phenyl]-8-(hydroxymethyl)-4-[oxo(2-pyrazinyl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7R,8S)-7-[4-(2-cyclopropylethynyl)phenyl]-8-(hydroxymethyl)-4-[oxo(2-pyrazinyl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one
4-fluoro-N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(4-pyrimidinylmethylamino)ethyl]-3-oxanyl]benzamide
4-fluoro-N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(4-pyrimidinylmethylamino)ethyl]-3-oxanyl]benzamide
4-fluoro-N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(4-pyrimidinylmethylamino)ethyl]-3-oxanyl]benzamide
N-[(2S,3R,6S)-6-[2-[[(2-fluorophenyl)-oxomethyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-pyrazinecarboxamide
N-[(2R,3S,6R)-6-[2-[[(2-fluorophenyl)-oxomethyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-pyrazinecarboxamide
N-[(2R,3R,6R)-6-[2-[[(2-fluorophenyl)-oxomethyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-pyrazinecarboxamide
N-[(2R,3S,6S)-6-[2-[[(2-fluorophenyl)-oxomethyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-pyrazinecarboxamide
N-[(2S,3S,6S)-6-[2-[[(2-fluorophenyl)-oxomethyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-pyrazinecarboxamide
N-[(2R,3R,6S)-6-[2-[[(2-fluorophenyl)-oxomethyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-pyrazinecarboxamide
N-[(2R,3S,6R)-6-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-2-pyrazinecarboxamide
N-[(2S,3R,6R)-6-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-2-pyrazinecarboxamide
N-[(2R,3S,6S)-6-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-2-pyrazinecarboxamide
N-[(2R,3R,6R)-6-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-2-pyrazinecarboxamide
N-[(2S,3S,6R)-6-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-2-pyrazinecarboxamide
(4-fluorophenyl)-[(1S,5R)-7-[4-(4-methoxyphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]methanone
C25H23FN2O2 (402.17434699999995)
[(3aS,4S,9bS)-4-(hydroxymethyl)-8-phenyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-(3-fluorophenyl)methanone
C25H23FN2O2 (402.17434699999995)
(6S,7S,8S)-7-[4-(2-cyclopropylethynyl)phenyl]-8-(hydroxymethyl)-4-[oxo(2-pyrazinyl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7S,8R)-7-[4-(2-cyclopropylethynyl)phenyl]-8-(hydroxymethyl)-4-[oxo(2-pyrazinyl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7R,8S)-7-[4-(2-cyclopropylethynyl)phenyl]-8-(hydroxymethyl)-4-[oxo(2-pyrazinyl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7R,8R)-7-[4-(2-cyclopropylethynyl)phenyl]-8-(hydroxymethyl)-4-[oxo(2-pyrazinyl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7S,8R)-7-[4-(2-cyclopropylethynyl)phenyl]-8-(hydroxymethyl)-4-[oxo(2-pyrazinyl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7S,8S)-7-[4-(2-cyclopropylethynyl)phenyl]-8-(hydroxymethyl)-4-[oxo(2-pyrazinyl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one
6-Hydroxy-9,9-dimethyl-5-(3-methyl-1-oxobutyl)-1-propyl-3H,9H-[1,2]-dioxolo[3,4:4,5]furo[2,3-f][1]benzopyran-3-one
1,4-bis[(4-hydroxyphenyl)methyl] (2r)-2-hydroxy-2-(2-methylpropyl)butanedioate
(1r,2r,4r,4ar,5's,8as)-5-formyl-5'-(furan-3-yl)-4-hydroxy-2-methyl-2'-oxo-2,3,4,7,8,8a-hexahydrospiro[naphthalene-1,3'-oxolan]-4a-ylmethyl acetate
(3r,4r)-4-[(r)-(3,4-dimethoxyphenyl)(hydroxy)methyl]-3-[(3,4-dimethoxyphenyl)methyl]oxolan-2-one
(7s)-7-hydroxy-7-methyl-8-oxo-3-propyl-5,6-dihydro-1h-isochromen-6-yl 4-hydroxy-2-methoxy-6-methylbenzoate
(4r)-4-{[(3s)-2,3-dihydroxyindol-3-yl]methyl}-1-(propan-2-ylidene)-2h,3h,4h-pyrazino[2,1-b]quinazolin-6-one
6,10-dimethyl-3-methylidene-2,9-dioxo-3ah,4h,5h,8h,11ah-cyclodeca[b]furan-4-yl 2-[(acetyloxy)methyl]but-2-enoate
(3as,4s,9as)-4-(4-hydroxy-3,5-dimethoxyphenyl)-5,7-dimethoxy-1h,3h,3ah,4h,9h,9ah-naphtho[2,3-c]furan-6-ol
3-[4,6-dimethoxy-5-(3-methylbut-2-en-1-yl)cyclohexa-1,3-dien-1-yl]-3,5,7-trihydroxy-2h-1-benzopyran-4-one
4,5,19-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2(7),3,5,13,18-hexaene-3,11-diol
1-[2,4-dihydroxy-3-(2-hydroxy-3-methoxy-3-methylbutyl)-6-methoxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
4-(4-hydroxy-3,5-dimethoxyphenyl)-5,7-dimethoxy-1h,3h,3ah,4h,9h,9ah-naphtho[2,3-c]furan-6-ol
5''-(furan-3-yl)-6'-methyl-2'',8'-dioxo-hexahydrodispiro[oxirane-2,1'-naphthalene-5',3''-oxolan]-8'a-ylmethyl acetate
[2-(4-hydroxy-3-methoxyphenyl)-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-3-yl]methyl acetate
(2e,6e)-9-[(5r)-5-(2,5-dihydroxyphenyl)-5-methoxy-2-oxofuran-3-yl]-2,6-dimethylnona-2,6-dienoic acid
6-(2-formyl-6-hydroxy-4-methylphenoxy)-2-methoxy-3-(1-methoxy-3-methylbutyl)benzoic acid
methyl (6e)-8-hydroxy-15-methoxy-5-oxo-2,9-bis(prop-1-en-2-yl)-4,14-dioxatricyclo[9.2.1.1³,⁶]pentadeca-1(13),6,11-triene-12-carboxylate
4-[(3,4-dimethoxyphenyl)methyl]-3-[(3-hydroxy-4,5-dimethoxyphenyl)methyl]oxolan-2-one
(1r,5r,9r,17r)-9,17-dihydroxy-13,17-dimethyl-3-oxo-5-pentyl-4,8,14-trioxatetracyclo[7.7.1.0²,⁷.0¹¹,¹⁶]heptadeca-2(7),10,12,15-tetraene-10-carbaldehyde
5-[4-(3,4-dimethoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2,3-dimethoxyphenol
(3s,3ar,4r,9as,9bs)-4-(acetyloxy)-3,6,9-trimethyl-2,7-dioxo-3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-3-yl (2z)-2-methylbut-2-enoate
[(3ar,4r,11ar)-4-(acetyloxy)-6-formyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-10-yl]methyl (2z)-2-methylbut-2-enoate
5,14-dihydroxy-3,4,15,16-tetramethoxy-9,10-dimethyltricyclo[10.4.0.0²,⁷]hexadeca-1(16),2(7),3,5,12,14-hexaen-8-one
9-[(6,7-dihydroxy-3,7-dimethyloct-2-en-1-yl)oxy]-4-methoxyfuro[3,2-g]chromen-7-one
7-(acetyloxy)-9-methyl-3,6-dimethylidene-2-oxo-3ah,4h,5h,6ah,7h,9ah,9bh-azuleno[4,5-b]furan-4-yl 4-hydroxy-2-methylbut-2-enoate
{13-methyl-3-methylidene-2,18-dioxo-7,9,17-trioxahexacyclo[9.7.1.1¹,⁴.0⁶,¹⁹.0⁸,¹².0¹¹,¹⁶]icosan-13-yl}methyl acetate
9-[5-(2,5-dihydroxyphenyl)-5-methoxy-2-oxofuran-3-yl]-2,6-dimethylnona-2,6-dienoic acid
(1s,4r,5r,6s,7r)-4-hydroxy-1,5-dimethoxy-6-(7-methoxy-2h-1,3-benzodioxol-5-yl)-7-methyl-3-(prop-2-en-1-yl)bicyclo[3.2.1]oct-2-en-8-one
9-methyl-3,6-dimethylidene-2-oxo-3ah,4h,5h,6ah,7h,9ah,9bh-azuleno[4,5-b]furan-4-yl 2-[(acetyloxy)methyl]-4-hydroxybut-2-enoate
(8s,11r,12r,18r,19s)-14,14,18-trimethyl-9,13,17-trioxo-4,10-dioxatetracyclo[9.7.1.0³,⁷.0⁸,¹⁹]nonadeca-3(7),5-dien-12-yl acetate
6,9-dihydroxy-4-(1h-indol-3-ylmethyl)-7-methyl-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-3-one
(7r,8s,8as)-8-hydroxy-7-methyl-6-oxo-3-propyl-8,8a-dihydro-1h-isochromen-7-yl 4-hydroxy-2-methoxy-6-methylbenzoate
(3ar,4r,6ar,9ar,9br)-9-methyl-3,6-dimethylidene-2-oxo-3ah,4h,5h,6ah,7h,9ah,9bh-azuleno[4,5-b]furan-4-yl (2e)-4-(acetyloxy)-2-(hydroxymethyl)but-2-enoate
3-{[4-acetyl-2,3,6-trihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]methyl}-6-ethyl-4-hydroxy-5-methylpyran-2-one
6-hydroxy-7-methyl-8-oxo-3-propyl-5,6-dihydro-1h-isochromen-7-yl 4-hydroxy-2-methoxy-6-methylbenzoate
2-methoxy-4-[4-(3,4,5-trimethoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]phenol
(8r,9s,10s)-3,4,19-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2,4,6,13,18-hexaene-5,8-diol
8-hydroxy-7-methyl-6-oxo-3-propyl-8,8a-dihydro-1h-isochromen-7-yl 4-hydroxy-2-methoxy-6-methylbenzoate
8-hydroxy-3,6,9-trimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-4-yl 3-(acetyloxy)-2-methylidenebutanoate
(2s,4as,9s,10s,10ar)-6,9,10-trihydroxy-2,4a-dimethyl-1-methylidene-5,8-dioxo-7-(prop-2-en-1-yl)-4,9,10,10a-tetrahydro-3h-phenanthren-2-yl acetate
7-(acetyloxy)-9-methyl-3-methylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3ah-spiro[azuleno[4,5-b]furan-6,2'-oxiran]-4-yl 2-methylbut-2-enoate
1-[2,4-dihydroxy-3-(3-hydroxy-2-methoxy-3-methylbutyl)-6-methoxyphenyl]-3-(4-hydroxyphenyl)propenone
{"Ingredient_id": "HBIN000645","Ingredient_name": "1-[2,4-dihydroxy-3-(3-hydroxy-2-methoxy-3-methylbutyl)-6-methoxyphenyl]-3-(4-hydroxyphenyl)propenone","Alias": "NA","Ingredient_formula": "C22H26O7","Ingredient_Smile": "CC(C)(C(CC1=C(C=C(C(=C1O)C(=O)C=CC2=CC=C(C=C2)O)OC)O)O)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5910","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2r-trans)2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-5-benzofuranpropanol acetate
{"Ingredient_id": "HBIN006558","Ingredient_name": "(2r-trans)2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-5-benzofuranpropanol acetate","Alias": "NA","Ingredient_formula": "C22H26O7","Ingredient_Smile": "CC(=O)OCCCC1=CC(=C2C(=C1)C(C(O2)C3=CC(=C(C=C3)O)OC)CO)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5640","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3'-o-demethyldenudanolide b; 3',4'-di-me ether,5'-methoxy
{"Ingredient_id": "HBIN009310","Ingredient_name": "3'-o-demethyldenudanolide b; 3',4'-di-me ether,5'-methoxy","Alias": "NA","Ingredient_formula": "C22H26O7","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8016","PubChem_id": "NA","DrugBank_id": "NA"}
(+)-4-hydroxy-2,6-di(3,4-dimethoxy)phenyl-3,7-dioxabicyclo[3.3.0]octane
{"Ingredient_id": "HBIN010438","Ingredient_name": "(+)-4-hydroxy-2,6-di(3,4-dimethoxy)phenyl-3,7-dioxabicyclo[3.3.0]octane","Alias": "NA","Ingredient_formula": "C22H26O7","Ingredient_Smile": "COC1=C(C=C(C=C1)C2C3COC(C3C(O2)O)C4=CC(=C(C=C4)OC)OC)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9994","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
binankadsurin a
{"Ingredient_id": "HBIN018520","Ingredient_name": "binankadsurin a","Alias": "NA","Ingredient_formula": "C22H26O7","Ingredient_Smile": "CC1CC2=CC(=C(C(=C2C3=C(C4=C(C=C3C(C1C)O)OCO4)OC)O)OC)OC","Ingredient_weight": "402.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2381","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "16757190","DrugBank_id": "NA"}