Exact Mass: 374.1689
Exact Mass Matches: 374.1689
Found 500 metabolites which its exact mass value is equals to given mass value 374.1689
,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Hexahydrocurcumin
Hexahydrocurcumin is a member of the class of compounds known as curcuminoids. Curcuminoids are aromatic compounds containing a curcumin moiety, which is composed of two aryl buten-2-one (feruloyl) chromophores joined by a methylene group. Hexahydrocurcumin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Hexahydrocurcumin can be found in ginger, which makes hexahydrocurcumin a potential biomarker for the consumption of this food product. Hexahydrocurcumin is a diarylheptanoid. Hexahydrocurcumin is a natural product found in Zingiber officinale with data available. [Raw Data] CBA88_Hexahydrocurcum_pos_40eV.txt [Raw Data] CBA88_Hexahydrocurcum_neg_20eV.txt [Raw Data] CBA88_Hexahydrocurcum_pos_10eV.txt [Raw Data] CBA88_Hexahydrocurcum_neg_10eV.txt [Raw Data] CBA88_Hexahydrocurcum_pos_20eV.txt [Raw Data] CBA88_Hexahydrocurcum_pos_50eV.txt [Raw Data] CBA88_Hexahydrocurcum_neg_40eV.txt [Raw Data] CBA88_Hexahydrocurcum_neg_30eV.txt [Raw Data] CBA88_Hexahydrocurcum_neg_50eV.txt [Raw Data] CBA88_Hexahydrocurcum_pos_30eV.txt Hexahydrocurcumin is one of the major metabolites of curcumin and a selective, orally active COX-2 inhibitor. Hexahydrocurcumin is inactive against COX-1. Hexahydrocurcumin has antioxidant, anticancer and anti-inflammatory activities[1][2]. Hexahydrocurcumin is one of the major metabolites of curcumin and a selective, orally active COX-2 inhibitor. Hexahydrocurcumin is inactive against COX-1. Hexahydrocurcumin has antioxidant, anticancer and anti-inflammatory activities[1][2].
Hydroxyzine
A histamine H1 receptor antagonist that is effective in the treatment of chronic urticaria, dermatitis, and histamine-mediated pruritus. Unlike its major metabolite cetirizine, it does cause drowsiness. It is also effective as an antiemetic, for relief of anxiety and tension, and as a sedative. [PubChem] CONFIDENCE standard compound; INTERNAL_ID 1306; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8146; ORIGINAL_PRECURSOR_SCAN_NO 8142 CONFIDENCE standard compound; INTERNAL_ID 1306; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8167; ORIGINAL_PRECURSOR_SCAN_NO 8166 CONFIDENCE standard compound; INTERNAL_ID 1306; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8152; ORIGINAL_PRECURSOR_SCAN_NO 8147 CONFIDENCE standard compound; INTERNAL_ID 1306; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8169; ORIGINAL_PRECURSOR_SCAN_NO 8167 CONFIDENCE standard compound; INTERNAL_ID 1306; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8128; ORIGINAL_PRECURSOR_SCAN_NO 8124 CONFIDENCE standard compound; INTERNAL_ID 1306; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8120; ORIGINAL_PRECURSOR_SCAN_NO 8118 N - Nervous system > N05 - Psycholeptics > N05B - Anxiolytics > N05BB - Diphenylmethane derivatives D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D003879 - Dermatologic Agents > D000982 - Antipruritics Hydroxyzine, a benzodiazepine antihistamine agent, acts as an orally active histamine?H1-receptor and serotonin antagonist. Hydroxyzine has anxiolytic effect and can be used for the research of generalised anxiety disorder[1].
Phantomolin
A germacranolide isolated from Elephantopus mollis and has been shown to exhibit antineoplastic activity.
2-(4-Allyl-2,6-dimethoxyphenoxy)-1-(4-hydroxy-3-methoxyphenyl)-1-propanol
2-(4-Allyl-2,6-dimethoxyphenoxy)-1-(4-hydroxy-3-methoxyphenyl)-1-propanol is found in herbs and spices. 2-(4-Allyl-2,6-dimethoxyphenoxy)-1-(4-hydroxy-3-methoxyphenyl)-1-propanol is from seed kernels of Myristica fragrans (nutmeg). From seed kernels of Myristica fragrans (nutmeg). 2-(4-Allyl-2,6-dimethoxyphenoxy)-1-(4-hydroxy-3-methoxyphenyl)-1-propanol is found in herbs and spices. 2-(4-Allyl-2,6-dimethoxyphenoxy)-1-(4-hydroxy-3-methoxyphenyl)-1-propanol is a phenylpropanoid.
Cyproterone
An anti-androgen that, in the form of its acetate (cyproterone acetate), also has progestational properties. It is used in the treatment of hypersexuality in males, as a palliative in prostatic carcinoma, and, in combination with estrogen, for the therapy of severe acne and hirsutism in females. [Pubchem] G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03H - Antiandrogens > G03HA - Antiandrogens, plain D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D000726 - Androgen Antagonists C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C146993 - Androgen Receptor Inhibitor C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C242 - Anti-Androgen
Fragransol A
Fragransol A is found in herbs and spices. Fragransol A is a constituent of Myristica fragrans (nutmeg). Constituent of Myristica fragrans (nutmeg). Fragransol A is found in nutmeg and herbs and spices.
Fragransin C1
Fragransin C2 is found in herbs and spices. Fragransin C2 is isolated from Myristica fragrans (nutmeg). Isolated from Myristica fragrans (nutmeg). Fragransin C1 is found in nutmeg and herbs and spices.
Sonchifolin
Sonchifolin is found in green vegetables. Sonchifolin is a constituent of Smallanthus sonchifolius (yacon). Constituent of Smallanthus sonchifolius (yacon). Sonchifolin is found in green vegetables.
1-(4-Hydroxy-3,5-dimethoxyphenyl)-2-[2-methoxy-4-(1-propenyl)phenoxy]-1-propanol
1-(4-Hydroxy-3,5-dimethoxyphenyl)-2-[2-methoxy-4-(1-propenyl)phenoxy]-1-propanol is found in herbs and spices. 1-(4-Hydroxy-3,5-dimethoxyphenyl)-2-[2-methoxy-4-(1-propenyl)phenoxy]-1-propanol is a constituent of Myristica fragrans (nutmeg) oil. Constituent of Myristica fragrans (nutmeg) oil. 1-(4-Hydroxy-3,5-dimethoxyphenyl)-2-[2-methoxy-4-(1-propenyl)phenoxy]-1-propanol is found in herbs and spices.
Mammea B/BC cyclo E
Mammea B/BC cyclo E is found in fruits. Mammea B/BC cyclo E is a constituent of Mammea americana (mamey)
8,9-Dihydro-5-hydroxy-8-(1-hydroxy-1-methylethyl)-6-(1-oxobutyl)-4-propyl-2H-furo[2,3-h]-1-benzopyran-2-one
8,9-Dihydro-5-hydroxy-8-(1-hydroxy-1-methylethyl)-6-(1-oxobutyl)-4-propyl-2H-furo[2,3-h]-1-benzopyran-2-one is found in fruits. 8,9-Dihydro-5-hydroxy-8-(1-hydroxy-1-methylethyl)-6-(1-oxobutyl)-4-propyl-2H-furo[2,3-h]-1-benzopyran-2-one is a constituent of Mammea americana (mamey)
Cyclonormammein
Cyclonormammein is found in fruits. Cyclonormammein is a constituent of Mammea americana (mamey)
Cyproteron
Myrislignan
Myrislignan is a natural product found in Myristica fragrans with data available. Myrislignan, a lignan isolated from Myristica fragrans Houtt, possesses anti-inflammatory activities. Myrislignan attenuates LPS-induced inflammation reaction in murine macrophage cells through inhibition of NF-kB signalling pathway activation[1]. Myrislignan, a lignan isolated from Myristica fragrans Houtt, possesses anti-inflammatory activities. Myrislignan attenuates LPS-induced inflammation reaction in murine macrophage cells through inhibition of NF-kB signalling pathway activation[1].
[1aR-(1aalpha,3alpha,4beta,4abeta,5beta,9aS*)]- 5-(Acetyloxy)-1a,2,4,4a,5,9-hexahydro-4,4a,6-trimethyl-3H-oxireno[8,8a]naphtho[2,3-b]furan-3-yl ester 2-methyl-2-propenoic acid
(E,E)-2-Methyl-4-methoxy-5-methyl-2-[2-[[(2-methyl-1-oxo-2-butenyl)oxy]methyl]oxiranyl]phenyl ester
2-(4-Allyl-2,6-dimethoxyphenoxy)-1-(3-hydroxy-5-methoxyphenyl)-1-propanol
Methyl (2S,4aS,6aR,7R,10aR,10bR)-2-(3-furyl)-7-hydroxy-6a,10b-dimethyl-4-oxo-1,4,4a,5,6,6a,7,10,10a,10b-decahydro-2H-benzo[f]isochromene-7-carboxylate
9alpha-hydroxy-6beta-(6-oxohex-2E,4E-dienoyloxy)-5alpha-drim-7-en-11,12-olide|ustusolate E
rel-(7R,8S,1R,2R,3S,4S)-Delta8-2,4-dihydroxy-3,5-dimethoxy-3,4-methylenedioxy-1,2,3,4-tetrahydro-7.3,8.1-neolignan
Tinophyllol
Tinophyllol is a natural product found in Penianthus zenkeri and Arcangelisia flava with data available.
3-Methoxy-2[[[3-(4-Methoxyphenyl)-2-propenyl]oxy]carbonyl]-2-butenyl 2-methyl-2-butenoate, 9CI|morinin L
(-)-(2R,3R)-2-(3,4-methylenedioxybenzyl)-3-(3,4-dimethoxybenzyl)butanediol|(-)-dihydro-3,4-dimethoxy-3,4-dimethylenedioxycubebin|(-)-dihydro-3,4-dimethoxy-3,4-demethylenedioxycubebin|(2R,3R)-2-(3,4-dimethoxybenzyl)-3-(3,4-methylenedioxybenzyl)-1,4-butanediol|2,3-desmethoxy seco-isolintetralin
Me ether-12-Hydroxy-6,11,14-trioxo-8,12-abietadien-18-oic acid
(2S,3S,1S,2R)-and(2S,3S,1R,2R)-2,3-Dihydro-5-(1,2-dihydroxypropyl)-2-(3,4-dimethoxyphenyl)-7-methoxy-3-methylbenzofuran|machilusol D
(8R*,9S*)-16,17-dimethoxytricyclo[12.3.1.12,6]nonadeca-1(18),2(19),3,5,14,16-hexaene-3,8,9,15-tetrol|myricananin G
11,14-dihydroxy-12-methoxy-7-oxo-8,11,13-abietatrien-19-20beta-olide|19,20-epoxy-8-methyl-2-(1-methylethyl)-1,4-dihydroxy-3-methoxy-4b,5,6,7,8,8a,9,10-octahydro-phenanthren-10,19-dione
6beta-(2xi-methylbutyryloxy)eremophil-3,7(11),8-trien-8,12-olide-15-oic acid methyl ester
(-)-5,7-dihydroxy-4-(1S-hydroxypropyl)-6-(1-oxobutyl)-8-(3-methylbut-2-enyl)-2H-benzopyran-2-one|kayeassamin E
2beta-methoxy-2-deethoxy-8-O-deacylphantomolin-8-O-tiglinate
A germacranolide isolated from Elephantopus mollis and has been shown to exhibit antineoplastic activity.
5,3,4-trimethoxy-4,9-dihydroxy-2,8,9.O.7-neolignan
(-)-(7R,8R,8R)-4,4-dihydroxy-3,3,5-trimethoxy-7,9-epoxylignan
A lignan that is 3-methyloxolane substituted by a 4-hydroxy-3-methoxyphenyl group at position 5 and a (4-hydroxy-3,5-dimethoxyphenyl)methyl group at position 3. It has been isolated from the bark of Machilus robusta.
2beta,3alpha-dihydroxy-2,3,7,8alpha-tetrahydropenianthic acid-2,17-lactone
7-(3,4-Dihydroxyphenyl)-1-(3,5-dimethoxy-4-hydroxyphenyl)heptane-3-one
1-(4-Hydroxyphenyl)-3-acetoxy-5-hydroxy-7-(3,4-dihydroxyphenyl)heptane
(8S,8?R)-7?-(2-hydroxy-4,5-dimethoxyphenyl)-7-(2-methoxy-4,5-methylenedioxyphenyl)-8,8?-dimethylbutane|saurulignan C
(10R,16R)-12,16-epoxy-11,14,17-trihydroxy-6-methoxy-17(15?16)-abieta-5,8,11,13-tetraene-7-one|12,16-epoxy-11,14,17-trihydroxy-6-methoxy-17(15?16)-abeo-abieta-5,8,11,13-tetraene-7-one|18-hydroxy-6-methoxyvillosin C
(8S,8?R)-7?-(5-hydroxy-2,4-dimethoxyphenyl)-7-(2-methoxy-4,5-methylenedioxyphenyl)-8,8?-dimethylbutane|saurulignan D
(1S,3R,5S)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,5-epoxy-3-hydroxyheptane|diosniponol A
(1R,5S,6S)-1,5-epoxy-6-hydroxy-1,7-bis(3-methoxy-4-hydroxyphenyl)heptane|kravanhol B
cordato-oblongic acid methyl ester|Cordato-oblongic acid methylester|Cordato-oblonginsaeure-methylester
(2R,2S,3R,4bS,7R,8aS,9S,10S)-10-Formyloxy-4b,5,6,7,8,8a,9,10-octahydro-3,9-dihydroxy-2,4b,7-trimethyl-8-methylidenspiro(cyclopropan-1,2(1H)-phenanthren)-1,4(3H)-dion|(2R,2S,3R,4bS,7R,8aS,9S,10S)-10-Formyloxy-4b,5,6,7,8,8a,9,10-octahydro-3,9-dihydroxy-2,4b,7-trimethyl-8-methylidenspiro-1,4(3H)-dion
(8beta,7beta,8alpha)-4,4,5-trihydroxy-3,5,3-trimethoxy-2,7-cyclolignan|ocholignan B
(2S,4aS,6aR,7R,10aS,10bR)-2-(furan-3-yl)dodecahydro-6a,10b-dimethyl-4,10-dioxo-2H-naphtho[2,1-c]pyran-7-carboxylic acid methyl ester|(2S,4aS,6aR,7R,9S,10aS,10bR)-2-(3-furanyl)-dodecahydro-6a,10b-dimethyl-4,10-dioxo-2H-naphtho[2,1-c]-pyran-7-carboxylic acid methyl ester|2-deacetoxy-8-epi-salvinorin A
5,7-dihydroxy-4-(1-hydroxypropyl)-6-(3-methylbut-2-enyl)-8-(1-oxobutyl)-2H-benzopyran-2-one|theraphin A
methyl-3-prenyl-4-O-(beta-acetoxybutyryl)-coumarate
(7S,8R,1S,2S,3R)-Delta8-3,5-dimethoxy-2-hydroxy-3,4-methylenedioxy-1,2,3,4-tetrahydro-4-oxo-7.3,8.1-neolignan
(7S,8R,1S,3S,4S)-Delta8-4,4-dihydroxy-3,3,5-trimethoxy-1,2,3,4-tetrahydro-2-oxo-7.3,8.1-neolignan
1,7-bis(3,4-dihydroxyphenyl)heptan-3-yl acetate
1-[4-[2-(7-methoxy-1,3-benzodioxol-5-yl)ethyl]phenoxy]-3-methylbutane-2,3-diol
Cyproterone
G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03H - Antiandrogens > G03HA - Antiandrogens, plain D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D000726 - Androgen Antagonists C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C146993 - Androgen Receptor Inhibitor C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C242 - Anti-Androgen CONFIDENCE standard compound; INTERNAL_ID 2396 CONFIDENCE standard compound; INTERNAL_ID 8745
C21H26O6_(2S,3R,3aS,7aR)-5-Allyl-2-(4-hydroxy-3-methoxyphenyl)-3a,7a-dimethoxy-3-methyl-3,3a,7,7a-tetrahydro-1-benzofuran-6(2H)-one
C21H26O6_2H-Naphtho[2,1-c]pyran-7-carboxylic acid, 2-(3-furanyl)-1,4,4a,5,6,6a,7,10,10a,10b-decahydro-7-hydroxy-6a,10b-dimethyl-4-oxo-, methyl ester, (2S,4aS,6aR,7R,10aR,10bR)
C21H26O6_2,4-Hexadienoic acid, 6-oxo-, 1,3,5,5a,6,7,8,9,9a,9b-decahydro-9b-hydroxy-6,6,9a-trimethyl-1-oxonaphtho[1,2-c]furan-5-yl ester, (2E,4E)
C21H26O6_Benzenemethanol, alpha-[1-[2,6-dimethoxy-4-(2-propen-1-yl)phenoxy]ethyl]-4-hydroxy-3-methoxy
C21H26O6_2-[6-Acetyl-3-(isobutyryloxy)-2,3-dihydro-1-benzofuran-2-yl]-2-propen-1-yl 2-methylpropanoate
1-[4-[2-(7-methoxy-1,3-benzodioxol-5-yl)ethyl]phenoxy]-3-methylbutane-2,3-diol
4-[2-(2,6-dimethoxy-4-prop-2-enylphenoxy)-1-hydroxypropyl]-2-methoxyphenol
methyl (2S,4aS,6aR,7R,10aR,10bR)-2-(furan-3-yl)-7-hydroxy-6a,10b-dimethyl-4-oxo-2,4a,5,6,10,10a-hexahydro-1H-benzo[f]isochromene-7-carboxylate
2-[6-acetyl-3-(2-methylpropanoyloxy)-2,3-dihydro-1-benzofuran-2-yl]prop-2-enyl 2-methylpropanoate
hydroxyzine
N - Nervous system > N05 - Psycholeptics > N05B - Anxiolytics > N05BB - Diphenylmethane derivatives D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D003879 - Dermatologic Agents > D000982 - Antipruritics Hydroxyzine, a benzodiazepine antihistamine agent, acts as an orally active histamine?H1-receptor and serotonin antagonist. Hydroxyzine has anxiolytic effect and can be used for the research of generalised anxiety disorder[1].
1-[4-[2-(7-methoxy-1,3-benzodioxol-5-yl)ethyl]phenoxy]-3-methylbutane-2,3-diol [IIN-based on: CCMSLIB00000847813]
1-[4-[2-(7-methoxy-1,3-benzodioxol-5-yl)ethyl]phenoxy]-3-methylbutane-2,3-diol [IIN-based: Match]
1,7-bis(3,4-dihydroxyphenyl)heptan-3-yl acetate_major
methyl (2S,4aS,6aR,7R,10aR,10bR)-2-(furan-3-yl)-7-hydroxy-6a,10b-dimethyl-4-oxo-2,4a,5,6,10,10a-hexahydro-1H-benzo[f]isochromene-7-carboxylate_major
4-[2-(2,6-dimethoxy-4-prop-2-enylphenoxy)-1-hydroxypropyl]-2-methoxyphenol_major
2-[6-acetyl-3-(2-methylpropanoyloxy)-2,3-dihydro-1-benzofuran-2-yl]prop-2-enyl 2-methylpropanoate_major
1-[4-[2-(7-methoxy-1,3-benzodioxol-5-yl)ethyl]phenoxy]-3-methylbutane-2,3-diol_major
Ala Gly Met Pro
Ala Gly Pro Met
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Ala Met Pro Gly
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Met Ala Pro Gly
Met Gly Ala Pro
Met Gly Pro Ala
Met Pro Ala Gly
Met Pro Gly Ala
Pro Ala Gly Met
Pro Ala Met Gly
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Pro Gly Cys Val
Pro Gly Met Ala
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Cyclonormammein
Mammea B/BC cyclo E
Mammea b/ac cyclo F
Fragransol A
1-(4-Hydroxy-3,5-dimethoxyphenyl)-2-[2-methoxy-4-(1-propenyl)phenoxy]-1-propanol
(Rac)-Myrislignan
Sonchifolin
1-{4-[2-(7-Methoxy-1,3-benzodioxol-5-yl)ethyl]phenoxy}-3-methyl-2,3-butanediol
2-[6-Acetyl-3-(isobutyryloxy)-2,3-dihydro-1-benzofuran-2-yl]-2-propen-1-yl 2-methylpropanoate
(9,16b)-9,11-Epoxy-16,17,21-trihydroxypregna-1,4-diene-3,20-dione
TERT-BUTYL 4-((1R,2R)-1-(4-CHLOROPHENYL)-1-HYDROXYPENTAN-2-YL)BENZOATE
a-D-Glucopyranoside, methyl2,3-bis-O-(phenylmethyl)-
1H-Benzimidazole-1-acetamide,N-(1-methylethyl)-2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-(9CI)
Isopropyl (2S)-7-Cyano-4-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydrocyclopenta[b]indol-2-ylcarbamate
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C242 - Anti-Androgen
Pyrimidine-4,6-dicarboxylic acid bis-(3-methyl-benzylamide)
N-(1-ethyl-6-methyl-3-pyrazolo[3,4-b]quinolinyl)-2-(4-methoxyphenyl)acetamide
n-[[2-Methyl-4-hydroxycarbamoyl]but-4-yl-n]-benzyl-p-[phenyl]-p-[methyl]phosphinamid
CA042; N-(L-3-trans-Ethoxycarbonyloxirane-2-carbonyl)-L-threonyl-L-isoleucine
Methyl 2-(furan-3-yl)-7-hydroxy-6a,10b-dimethyl-4-oxo-2,4a,5,6,10,10a-hexahydro-1H-benzo[f]isochromene-7-carboxylate
rel-(-)-(7S,7R,8S,8R)-4,4-dihydroxy-3,3,5-trimethoxy-7,7-epoxylignan
A lignan that is 3,4-dimethyloxolane substituted by a 2-methoxyphenol group at position 5 and a 2,6-dimethoxyphenol group at 2. It has been isolated from the bark of Machilus robusta.
(2S,3R,3aS,7aR)-2-(4-hydroxy-3-methoxyphenyl)-3a,7a-dimethoxy-3-methyl-5-prop-2-enyl-3,7-dihydro-2H-1-benzofuran-6-one
3-[2-(Cyclohexylamino)-4-(4-methoxyphenyl)-5-thiazolyl]propanoic acid methyl ester
(9b-hydroxy-6,6,9a-trimethyl-1-oxo-3,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-5-yl) (2E,4E)-6-oxohexa-2,4-dienoate
N-{3-[2-(1-azepanyl)-4,5-dicyanophenoxy]phenyl}acetamide
N-(2-furanylmethyl)-5,7-dimethyl-6-[(3-methylphenyl)methyl]-3-pyrazolo[1,5-a]pyrimidinecarboxamide
2-[2-Oxo-2-(2,2,4,6-tetramethyl-1-quinolinyl)ethyl]isoindole-1,3-dione
N-cyclohexyl-2-[[5-[(4-methoxyphenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetamide
6-(3,5-dimethyl-4-isoxazolyl)-N-[(2-ethoxyphenyl)methyl]-4-quinazolinamine
N-[2-(1-cyclohexenyl)ethyl]-1-[cyclopropyl(oxo)methyl]-2,3-dihydroindole-5-sulfonamide
N-[[(2R,3R,4R)-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-N-propan-2-ylbenzenesulfonamide
(2S,3R,4S)-4-(hydroxymethyl)-3-[4-(3-methoxyprop-1-ynyl)phenyl]-1-(1-oxo-2-phenylethyl)-2-azetidinecarbonitrile
(2S,3S,4S)-4-(hydroxymethyl)-3-[4-(3-methoxyprop-1-ynyl)phenyl]-1-(2-phenylacetyl)azetidine-2-carbonitrile
(2S,3R,4S)-1-[2-(dimethylamino)-1-oxoethyl]-4-(hydroxymethyl)-3-[4-[2-(3-pyridinyl)ethynyl]phenyl]-2-azetidinecarbonitrile
(2R,3R,4R)-4-(hydroxymethyl)-3-[4-(3-methoxyprop-1-ynyl)phenyl]-1-(1-oxo-2-phenylethyl)-2-azetidinecarbonitrile
N-[[(2S,3S,4S)-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-N-propan-2-ylbenzenesulfonamide
6beta-Hydroxyprednisone
A glucocorticoid that is prednisone carrying a hydroxy group at the 6beta position. It is a metabolite of prednisone found in human urine.
6alpha-Hydroxyprednisone
A glucocorticoid that is prednisone carrying a hydroxy group at the 6alpha position. It is a metabolite of prednisone found in human urine.
(4E,8E)-10-(4,6-dihydroxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4,8-dimethyldeca-4,8-dienoic acid
N-(2-Butoxy-4-quinolinecarbonyl)glycine trimethylsilyl ester
1-(1,1,2,2,2-Pentamethyldisilanyl)-4-(1-phenyl-1,2,2,2-tetramethyldisilanyl)-1-buten-3-yne
Hexahydrocurcumin
Hexahydrocurcumin is a diarylheptanoid. Hexahydrocurcumin is a natural product found in Zingiber officinale with data available. Hexahydrocurcumin is one of the major metabolites of curcumin and a selective, orally active COX-2 inhibitor. Hexahydrocurcumin is inactive against COX-1. Hexahydrocurcumin has antioxidant, anticancer and anti-inflammatory activities[1][2]. Hexahydrocurcumin is one of the major metabolites of curcumin and a selective, orally active COX-2 inhibitor. Hexahydrocurcumin is inactive against COX-1. Hexahydrocurcumin has antioxidant, anticancer and anti-inflammatory activities[1][2].
8,9-Dihydro-5-hydroxy-8-(1-hydroxy-1-methylethyl)-6-(1-oxobutyl)-4-propyl-2H-furo[2,3-h]-1-benzopyran-2-one
Alniditan (dihydrochloride)
Alniditan (Alnitidan) dihydrochloride is a potent 5-HT1B and 5-HT1D receptors agonist, with IC50s of 1.7 nM and 1.3 nM for h5-HT1B and h5-HT1D receptors in HEK?293 cells, respectively. Alniditan dihydrochloride has migraine-preventive effects[1][2].
CCK antagonist 1
CCK antagonist 1 (compound 3d) is a CCK antagonist with IC50s of 1.1 μM and 4 μM for CCK1 and CCK2, respectively. CCK antagonist 1 can be used for research of cancer and mental disease[1].
methyl 2-(furan-3-yl)-6a,10b-dimethyl-4,10-dioxo-octahydro-1h-naphtho[2,1-c]pyran-7-carboxylate
(1s,2s,5r,6s,7r)-7-(2h-1,3-benzodioxol-5-yl)-1,3-dimethoxy-6-methyl-5-(prop-2-en-1-yl)bicyclo[3.2.1]oct-3-ene-2,8-diol
methyl (1s,4r,5r,7s,9s,11s,13r,16r,17r)-7-(furan-3-yl)-4-methyl-8,10,12-trioxapentacyclo[11.3.1.0¹,¹¹.0⁵,⁹.0⁵,¹⁶]heptadecane-17-carboxylate
2-[(3,4-dimethoxyphenyl)methoxy]-7a-hydroxy-3-methyl-3a-(prop-2-en-1-yl)-3,4-dihydro-2h-1-benzofuran-7-one
5-(2,5-dihydroxyphenyl)-5-hydroxy-3-{2-[(1r,3s)-3-hydroxy-2,2-dimethyl-6-methylidenecyclohexyl]ethyl}furan-2-one
7-(2h-1,3-benzodioxol-5-yl)-1,3-dimethoxy-6-methyl-5-(prop-2-en-1-yl)bicyclo[3.2.1]oct-3-ene-2,8-diol
4-(3-methoxy-3-oxoprop-1-en-1-yl)-2-(3-methylbut-2-en-1-yl)phenyl 3-(acetyloxy)butanoate
(1r,2s,6r,7r,9r,13r,17s)-15-hydroxy-4-methoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-4,14-diene-3,11,16-trione
(3s)-9,10-dihydroxy-3-[(2r)-2-hydroxyheptyl]-7-methoxy-3h,4h-naphtho[2,3-c]pyran-1-one
[(2r)-2-(5-methoxy-4-methyl-2-{[(2e)-2-methylbut-2-enoyl]oxy}phenyl)oxiran-2-yl]methyl (2e)-2-methylbut-2-enoate
methyl (2s,4ar,6ar,7r,10ar,10br)-2-(furan-3-yl)-7-hydroxy-6a,10b-dimethyl-4-oxo-1h,2h,4ah,5h,6h,10h,10ah-naphtho[2,1-c]pyran-7-carboxylate
3-{2,3-dimethoxy-4-[(2-methylbut-2-enoyl)oxy]phenyl}prop-2-en-1-yl 2-methylbut-2-enoate
methyl (3ar,4r,11ar)-10-methyl-4-{[(2e)-2-methylbut-2-enoyl]oxy}-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-6-carboxylate
4-[(2r,3r)-5-[(1s,2r)-2-hydroxy-1-methoxypropyl]-7-methoxy-3-methyl-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenol
6-[(2r,3s)-4-(5-hydroxy-2,4-dimethoxyphenyl)-2,3-dimethylbutyl]-2h-1,3-benzodioxol-5-ol
14,15,16-trimethoxy-9,10-dimethyltricyclo[10.4.0.0²,⁷]hexadeca-1(12),2(7),3,5,13,15-hexaene-3,4,5-triol
(2e)-3-(3,4-dimethoxyphenyl)prop-2-en-1-yl (2z)-2-({[(2z)-2-methylbut-2-enoyl]oxy}methyl)but-2-enoate
(2r)-3-methylidene-2h-furan-2-yl (2e,6e)-8-[(2r)-2-methoxy-4-methyl-5-oxofuran-2-yl]-3,7-dimethylocta-2,6-dienoate
4-[(1r,2s,3s)-2,3-bis(hydroxymethyl)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methoxyphenol
7-ethoxy-11-methyl-4-(prop-1-en-2-yl)-14-oxabicyclo[11.2.1]hexadeca-1(16),10-diene-3,6,9,15-tetrone
(1e,3z,4s,6e)-1-(acetyloxy)-3-[(acetyloxy)methylidene]-7,11-dimethyldodeca-1,6,10-trien-8-yn-4-yl acetate
3-methylidene-2h-furan-2-yl 8-(2-methoxy-4-methyl-5-oxofuran-2-yl)-3,7-dimethylocta-2,6-dienoate
5,14,15-trimethoxy-9,10-dimethyltricyclo[10.4.0.0²,⁷]hexadeca-1(12),2(7),3,5,13,15-hexaene-3,4,16-triol
6-[(2r,3s)-4-(2-hydroxy-4,5-dimethoxyphenyl)-2,3-dimethylbutyl]-2h-1,3-benzodioxol-5-ol
furan-3-ylmethyl (2e,6e)-8-[(2r)-2-methoxy-4-methyl-5-oxofuran-2-yl]-3,7-dimethylocta-2,6-dienoate
(1r,2s,5r,8r,10r,11r,13r,16s)-8-(furan-3-yl)-1,16-dihydroxy-2,10-dimethyl-15-methylidene-7,14-dioxatetracyclo[11.2.1.0²,¹¹.0⁵,¹⁰]hexadecan-6-one
5,7-dihydroxy-4-[(1s)-1-hydroxypropyl]-6-(3-methylbut-2-en-1-yl)-8-(2-methylpropanoyl)chromen-2-one
(2-{5-methoxy-4-methyl-2-[(2-methylbut-2-enoyl)oxy]phenyl}oxiran-2-yl)methyl 2-methylbut-2-enoate
(9r,9as)-9-hydroxy-3-[(7r)-7-hydroxyoctanoyl]-6,9a-dimethyl-9h-furo[3,2-g]isochromen-2-one
(1z,3r,4s,6r,7r,8r,11r,13s,15r)-13-hydroxy-6-methyl-17,18-dioxo-16-oxatetracyclo[13.2.2.0³,¹¹.0⁴,⁸]nonadeca-1,9-dien-7-yl acetate
3-hydroxy-1-[4-hydroxy-2-(3-hydroxy-5-methylphenoxy)-6-methylphenyl]-3-methylbutan-2-yl acetate
(3r,5r)-1-(3,4-dihydroxyphenyl)-5-hydroxy-7-(4-hydroxyphenyl)heptan-3-yl acetate
(9s,10r)-5,14,15-trimethoxy-9,10-dimethyltricyclo[10.4.0.0²,⁷]hexadeca-1(12),2(7),3,5,13,15-hexaene-3,4,16-triol
[(5s,7s)-7-hydroxy-3,5-dimethyl-9-(propanoyloxy)-5h,6h,7h,8h-naphtho[2,3-b]furan-4-yl]methyl propanoate
(3s,4e,6e)-8-{[(1r,2s,7r,8ar)-7-hydroxy-1,8a-dimethyl-6-oxo-1,2,7,8-tetrahydronaphthalen-2-yl]oxy}-3-methyl-8-oxoocta-4,6-dienoic acid
(2s,3s,1's,2'r)-and(2s,3s,1'r,2'r)-2,3-dihydro-5-(1',2'-dihydroxypropyl)-2-(3,4-dimethoxyphenyl)-7-methoxy-3-methylbenzofuran
{"Ingredient_id": "HBIN006688","Ingredient_name": "(2s,3s,1's,2'r)-and(2s,3s,1'r,2'r)-2,3-dihydro-5-(1',2'-dihydroxypropyl)-2-(3,4-dimethoxyphenyl)-7-methoxy-3-methylbenzofuran","Alias": "NA","Ingredient_formula": "C21H26O6","Ingredient_Smile": "CC1C(OC2=C(C=C(C=C12)C(C(C)O)O)OC)C3=CC(=C(C=C3)OC)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5595","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5-o-ethyl-hirsutanonol
{"Ingredient_id": "HBIN011855","Ingredient_name": "5-o-ethyl-hirsutanonol","Alias": "NA","Ingredient_formula": "C21H26O6","Ingredient_Smile": "CCOC(CCC1=CC(=C(C=C1)O)O)CC(=O)CCC2=CC(=C(C=C2)O)O","Ingredient_weight": "374.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "7444","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "11710535","DrugBank_id": "NA"}
(8R,8'R,9S)-4,4'-dihydroxy-3,3',9-trimethoxy-9,9'-epoxylignan
{"Ingredient_id": "HBIN013893","Ingredient_name": "(8R,8'R,9S)-4,4'-dihydroxy-3,3',9-trimethoxy-9,9'-epoxylignan","Alias": "NA","Ingredient_formula": "C21H26O6","Ingredient_Smile": "COC1C(C(CO1)CC2=CC(=C(C=C2)O)OC)CC3=CC(=C(C=C3)O)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42908","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
altissimacouniarin B
{"Ingredient_id": "HBIN015781","Ingredient_name": "altissimacouniarin B","Alias": "NA","Ingredient_formula": "C21H26O6","Ingredient_Smile": "CC(=CCCC1(C(O1)COC2=C(C=C3C=CC(=O)OC3=C2OC)OC)C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "34521","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}