Exact Mass: 306.1732042
Exact Mass Matches: 306.1732042
Found 500 metabolites which its exact mass value is equals to given mass value 306.1732042,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Tenulin
Tenulin is a sesquiterpene lactone. Tenulin is a natural product found in Helenium quadridentatum, Helenium donianum, and Helenium amarum with data available.
Capsiate
Capsiate is a carboxylic ester obtained by formal condensation of the carboxy group of (6E)-8-methylnon-6-enoic acid with the benzylic hydroxy group of vanillyl alcohol. A non-pungent analogue of capsaicin with a similar biological profile. It has a role as a plant metabolite, a hypoglycemic agent, an anti-allergic agent, an antioxidant, an angiogenesis inhibitor, an anti-inflammatory agent and a capsaicin receptor agonist. It is a carboxylic ester, a monomethoxybenzene and a member of phenols. It is functionally related to a vanillyl alcohol. Capsiate is a natural product found in Apis cerana with data available. A carboxylic ester obtained by formal condensation of the carboxy group of (6E)-8-methylnon-6-enoic acid with the benzylic hydroxy group of vanillyl alcohol. A non-pungent analogue of capsaicin with a similar biological profile. Constituent of fruits of Capsicum annuum. Capsiate is found in many foods, some of which are orange bell pepper, herbs and spices, yellow bell pepper, and italian sweet red pepper. Capsiate is found in fruits. Capsiate is a constituent of fruits of Capsicum annuum Capsiate, as a capsaicin analogue extracted from a non-pungent cultivar of CH-19 sweet red pepper, is an orally active agonist of TRPV1[1]. Capsiate, as a capsaicin analogue extracted from a non-pungent cultivar of CH-19 sweet red pepper, is an orally active agonist of TRPV1[1].
Dipentyl phthalate
CONFIDENCE standard compound; INTERNAL_ID 613; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10474; ORIGINAL_PRECURSOR_SCAN_NO 10473 CONFIDENCE standard compound; INTERNAL_ID 613; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10545; ORIGINAL_PRECURSOR_SCAN_NO 10543 CONFIDENCE standard compound; INTERNAL_ID 613; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10558; ORIGINAL_PRECURSOR_SCAN_NO 10557 CONFIDENCE standard compound; INTERNAL_ID 613; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10489; ORIGINAL_PRECURSOR_SCAN_NO 10487 CONFIDENCE standard compound; INTERNAL_ID 613; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10535; ORIGINAL_PRECURSOR_SCAN_NO 10530 CONFIDENCE standard compound; INTERNAL_ID 613; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10434; ORIGINAL_PRECURSOR_SCAN_NO 10431 Dipentyl phthalate is an endocrine-disrupting phthalate plasticizer. Dipentyl phthalate increases AMPK phosphorylation and decreases AKT1 phosphorylation and SIRT1 levels. Dipentyl phthalate reduces adrenocorticotropic hormone levels. Dipentyl phthalate is a testicular toxicant[1]. Dipentyl phthalate is an endocrine-disrupting phthalate plasticizer. Dipentyl phthalate increases AMPK phosphorylation and decreases AKT1 phosphorylation and SIRT1 levels. Dipentyl phthalate reduces adrenocorticotropic hormone levels. Dipentyl phthalate is a testicular toxicant[1].
Isotenulin
Bz-Arg-OEt
KEIO_ID B026; [MS3] KO008890 KEIO_ID B026; [MS2] KO008889 KEIO_ID B026
N1-trans-Feruloylagmatine
N1-trans-Feruloylagmatine is found in cereals and cereal products. N1-trans-Feruloylagmatine is isolated from Triticum aestivum (wheat) exposed to low temps. Isolated from Triticum aestivum (wheat) exposed to low temps. N1-trans-Feruloylagmatine is found in wheat and cereals and cereal products.
Gaillardin
Matricin
Constituent of Matricaria chamomilla (German chamomile). Matricin is found in many foods, some of which are german camomile, fats and oils, tea, and herbs and spices. Matricin is found in fats and oils. Matricin is a constituent of Matricaria chamomilla (German chamomile).
Xanthinin
ML 236A
A carbobicyclic compound that is ML-236C substituted by a hydroxy group at position 8S. It is a fungal metabolite isolated from Penicillium citrinum and exhibits anticholesteremic activity.
5-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methoxy-6-methylbenzene-1,2,4-triol
koumine
15-Ethenyl-13-methyl-19-oxa-3,13-diazahexacyclo[14.3.1.02,10.04,9.010,15.012,17]icosa-2,4,6,8-tetraene is a member of indoles. CID 5318846 is a natural product found in Gelsemium elegans with data available. Koumine is an alkaloid separated from Gelsemium elegans, shows potent anti-tumor activity. Koumine up-regulates the Bax/Bcl-2 ratio and caspase-3 expression in human breast cancer cells[1]. Koumine has anxiolytic, antistress, antipsoriatic, and analgesic activities[3], protects against the development of arthritis in Rheumatoid arthritis (RA) animal models[2]. Koumine is an alkaloid separated from Gelsemium elegans, shows potent anti-tumor activity. Koumine up-regulates the Bax/Bcl-2 ratio and caspase-3 expression in human breast cancer cells[1]. Koumine has anxiolytic, antistress, antipsoriatic, and analgesic activities[3], protects against the development of arthritis in Rheumatoid arthritis (RA) animal models[2].
Achillicin
Achillicin is found in herbs and spices. Achillicin is a constituent of Achillea millefolium (yarrow). Constituent of Achillea millefolium (yarrow). Achillicin is found in herbs and spices.
Naematolone
Naematolone is found in mushrooms. Naematolone is a metabolite of Hypholoma capnoides (conifer tuft Metabolite of Hypholoma capnoides (conifer tuft). Naematolone is found in mushrooms.
5'-Carboxy-gamma-chromanol
5-Carboxy-gamma-tocopherol is a dehydrogenation carboxylate product of 5-hydroxy-r-tocopherol by an unidentified microsomal enzyme(s) probably via an aldehyde intermediate. r-Tocopherol provides different antioxidant activities in food and in-vitro studies and showed higher activity in trapping lipophilic electrophiles and reactive nitrogen and oxygen species. From the metabolism end product, only that of r-tocopherol (2,7,8-trimethyl-2-(b-carboxyethyl)-6-hydroxychroman), but not that of a-tocopherol, was identified to provide natriuretic activity. Only the r-tocopherol plasma level served as biomarker for cancer and cardiovascular risk.
1-(beta-D-Glucopyranosyloxy)-3-octanone
1-(beta-D-Glucopyranosyloxy)-3-octanone is found in fruits. 1-(beta-D-Glucopyranosyloxy)-3-octanone is a constituent of the fruit of Carica pubescens (mountain papaya) Constituent of the fruit of Carica pubescens (mountain papaya). 1-(beta-D-Glucopyranosyloxy)-3-octanone is found in fruits.
(1R,10R,12S,15S,16R,17S)-15-Ethenyl-13-methyl-19-oxa-3,13-diazahexacyclo[14.3.1.02,10.04,9.010,15.012,17]icosa-2,4,6,8-tetraene
Corrin
Inproquone
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent
N,N-Diallylpentobarbital
C17H26N2O3 (306.19433260000005)
N,N'-Diallylpentobarbital
C17H26N2O3 (306.19433260000005)
2,3,5,10,15,17,18,19,22,23-Decahydro-1H-corrin
Propentofylline
N - Nervous system > N06 - Psychoanaleptics > N06B - Psychostimulants, agents used for adhd and nootropics > N06BC - Xanthine derivatives D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents C26170 - Protective Agent > C1509 - Neuroprotective Agent D020011 - Protective Agents
Roxit
C17H26N2O3 (306.19433260000005)
(E)-4-(2-(5,6,7,8-Tetrahydro-8,8-dimethyl-2-naphthalenyl)-1-propenyl)benzenemethanol
Soquinolol
C17H26N2O3 (306.19433260000005)
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist
Proazulene
Proazulene, also known as matricine, is a member of the class of compounds known as gamma butyrolactones. Gamma butyrolactones are compounds containing a gamma butyrolactone moiety, which consists of an aliphatic five-member ring with four carbon atoms, one oxygen atom, and bears a ketone group on the carbon adjacent to the oxygen atom. Thus, proazulene is considered to be an isoprenoid lipid molecule. Proazulene is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Proazulene can be found in anise, which makes proazulene a potential biomarker for the consumption of this food product. Chamazulene, a blue-violet derivative of azulene, found in a variety of plants including in chamomile (Matricaria chamomilla), wormwood (Artemisia absinthium) and yarrow (Achillea millefolium) is biosynthesized from matricin .
Cumambrin A
Cumambrin a belongs to guaianolides and derivatives class of compounds. Those are diterpene lactones with a structure characterized by the presence of a gamma-lactone fused to a guaiane, forming 3,6,9-trimethyl-azuleno[4,5-b]furan-2-one or a derivative. Cumambrin a is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Cumambrin a can be found in sweet bay, which makes cumambrin a a potential biomarker for the consumption of this food product.
koumine
Annotation level-1 Koumine is an alkaloid separated from Gelsemium elegans, shows potent anti-tumor activity. Koumine up-regulates the Bax/Bcl-2 ratio and caspase-3 expression in human breast cancer cells[1]. Koumine has anxiolytic, antistress, antipsoriatic, and analgesic activities[3], protects against the development of arthritis in Rheumatoid arthritis (RA) animal models[2]. Koumine is an alkaloid separated from Gelsemium elegans, shows potent anti-tumor activity. Koumine up-regulates the Bax/Bcl-2 ratio and caspase-3 expression in human breast cancer cells[1]. Koumine has anxiolytic, antistress, antipsoriatic, and analgesic activities[3], protects against the development of arthritis in Rheumatoid arthritis (RA) animal models[2].
[3aS-(3aR*,6Z,10Z,11aS*)]-10-[(Acetyloxy)methyl]-3a,4,5,8,9,11a-hexahydro-6-(hydroxymethyl)-3-methylenecyclodeca[b]furan-2(3H)-one
3-Hydroxy-4,6,6-trimethyl-1,4-Cyclohexadiene-1-carboxaldehyde 4-hydroxy-3-methylcrotonate acetate
[3aS-(3aalpha,5abeta,7alpha,9aalpha,9balpha)]-7-(Acetyloxy)decahydro-9a-hydroxy-5a-methyl-3,9-bis(methylene)naphtho[1,2-b]furan-2(3H)-one
Ergolide
Ergolide is a sesquiterpene lactone that is decahydroazuleno[6,5-b]furan-2,5-dione substituted by methyl groups at positions 4a and 8, a methylidene group at position 3 and an acetyloxy group at position 4. It has been isolated from the aerial parts of Inula hupehensis. It has a role as a metabolite, an anti-inflammatory agent, a plant metabolite, an antineoplastic agent and a NF-kappaB inhibitor. It is a gamma-lactone, a cyclic ketone, an acetate ester, an organic heterotricyclic compound and a sesquiterpene lactone. Ergolide is a natural product found in Inula hupehensis with data available. A sesquiterpene lactone that is decahydroazuleno[6,5-b]furan-2,5-dione substituted by methyl groups at positions 4a and 8, a methylidene group at position 3 and an acetyloxy group at position 4. It has been isolated from the aerial parts of Inula hupehensis. Ergolide is a sesquiterpene lactone isolated from the dried flowers of Inula Britannica. Ergolide inhibits inducible nitric oxide synthase and cyclo-oxygenase-2 expression in RAW 264.7 macrophages through the inactivation of NF-κB[1]. Ergolide is a sesquiterpene lactone isolated from the dried flowers of Inula Britannica. Ergolide inhibits inducible nitric oxide synthase and cyclo-oxygenase-2 expression in RAW 264.7 macrophages through the inactivation of NF-κB[1].
3-Hydroxy-4,6,6-trimethyl-1,4-Cyclohexadiene-1-carboxaldehyde 2-(hydroxymethyl)crotonate acetate
Pulchellin E
Isoludalbin
[10S-(6E,10R*,11aS*)]-3-[(acetyloxy)methyl]-5,8,11,11a-Tetrahydro-6,10-dimethylcyclodeca[b]furan-2,9(4H,10H)-dione
beta-Cyclopyrethrosin
beta-Liriodenolide
Artegallin
6alpha-Acetoxy-4alpha-hydroxy-9,11(13)-guaiadien-12,8alpha-olide
gamma-Liriodenolide
[3aR-(3aalpha,5abeta,7alpha,9balpha)]-7-(Acetyloxy)-3a,4,5,5a,6,7,8,9b-octahydro-3a-hydroxy-5a,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2(3H)-one
Ludalbin
2alpha-Acetoxy-8-epiivangustin
13-Acetoxy-3-hydroxy-1(10),4,7(11)-germacratrien-12,6-olide
3-Acetoxy-13-hydroxy-1(10),4,7(11)-germacratrien-12,6-olide
8alpha-Acetoxytaurin
(E,E)-5-[5-[4-(Acetyloxy)-2-methyl-2-butenyl]-2,5-dihydro-2-oxo-3-furanyl]-2-methyl-2-pentenal
Pulchellin B
Anthepseudolide acetate
Montathanolide
Asperentin-8-methyl ether
A member of the class of isocoumarins that is asperentin in which the hydroxy group at position 8 has been replaced by a methoxy group. It is a fungal metabolite isolated from Chaetomium globosum.
[4aS-(4aalpha,8beta,8abeta,9abeta)]-8-(Acetyloxy)-4a,7,8,8a,9,9a-hexahydro-9a-hydroxy-3,5,8a-trimethyl-naphtho[2,3-b]furan-2(4H)-one
alpha-Liriodenolide
propentofylline
N - Nervous system > N06 - Psychoanaleptics > N06B - Psychostimulants, agents used for adhd and nootropics > N06BC - Xanthine derivatives D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents C26170 - Protective Agent > C1509 - Neuroprotective Agent D020011 - Protective Agents
(2E)-N-(4-acetamidobutyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
5alpha-Acetoxy-1beta,10alpha-epoxygermacra-4(15),11-dien-12,8alpha-olid
(8beta,11E)-form-8,17-Epoxy-15,16-dinor-13-oxo-11-labden-19-oic acid
1beta-Acetoxy-4beta,5alpha-epoxygermacra-10(14),11-dien-12,8alpha-olid
3,8b-Dimethyl-7-methylene-6-oxodecahydrooxireno[2,3:2,3]azuleno[6,5-b]furan-2a(2H)-yl acetate #
2-acetylflorilenalin|florilenalin 2-O-acetate|florilenalin acetate|florilenalin-2-O-acetate
inuchinenolide B
A sesquiterpene lactone that is 3a,4,4a,5,6,7,9,9a-octahydroazuleno[6,5-b]furan-2(3H)-one substituted by a hydroxy group at position 5, methyl groups at positions 5 and 8, an acetyloxy group at position 7 and a methylidene group at position 3. It has been isolated from the aerial parts of Inula hupehensis.
(3R,4R)-(-)-6-methoxy-1-oxo-3-pentyl-3,4-dihydro-1H-isochromen-4-yl acetate|(3R,4R)-(-)-6-methoxy-3,4-dihydro-3-n-pentyl-4-acetoxy-1H-2-benzopyran-1-one|(3R,4R)-4-acetoxy-6-methoxy-3-pentylisochroman-1-one
3beta-angeloyloxy-10beta-hydroxy-8-oxo-eremophil-6(7)-en
1beta-Acetoxy-5beta,10alpha-epoxygermacra-4(15),11-dien-12,8alpha-olid
1R*,7R*,8S*,10S*-15-acetoxy-1(10)-epoxygermacra-4,11(13)-dien-8,12-olide
(3aS,5R,7aR)-4,4,7a-trimethyl-7a-hydroxymethyl-2-oxo-2,3,3a,4,5,7a-hexahydrobenzo[b]furan-5-yl-3,4-dimethyl-3-pentenoate|3-teracrylmelazolide B
(1S,9R,11S)-14-methoxy-12-acetoxycaryophylla-2(15),5Z-dien-7-one
(3aS,5Z,9E)-6-acetoxymethyl-4c-hydroxy-10-methyl-3-methylene-(3ar,11at)-3a,4,7,8,11,11a-hexahydro-3H-cyclodeca[b]furan-2-one|artemisiifolin acetate|C15-Acetylartemisiifolin|O15-acetyl-artemisiifolin
3-(2,3-dihydroxy-3-methyl-butyl)-5-(3-methyl-2-butenyl)-4-hydroxyacetophenone
3beta-acetoxy-6beta-hydroxy-1(10)E,4E,7(11)-germacratriene-12,8beta-olide|nubtrienolide
15-nor-1beta,4alpha,14-trihydroxy-13-methoxy-8,11,13-podocarpatrien-7-one
8alpha-acetoxy-2alpha-hydroxy-1alpha,5alpha,6beta,7alpha,11betaH-guaia-3,10(14)-dien-12,6-olide
methyl 5,7-dimethoxy-2,2-dimethyl-2h-1-benzopyran-6-propanoate
10-acetoxy-8,9-dehydro-6-methoxy-thymol isobutyrate|10-acetoxy-8,9-dehydro-6-methoxythymol isobutyrate
3beta-acetoxy-1-oxo-germacra-5E,10(14),11(13)-trien-12-oic acid
8-Ac-(1alpha,5alpha,6alpha,8alpha,10beta)-1,8-Dihydroxy-3,11(13)-guaiadien-12,6-olide
14-acetoxydesacetyl laurenobiolide|14-acetoxydesacetyl-laurenobiolide
(13E,15E)-Chromomoric acid D|(13Z,15E)-Chromomoric acid D
13-Acetoxy-3beta-hydroxygermacra-1(10)E,4E,7(11)-trien-12,6alpha-olide
2beta-acetoxy-3-oxo-eremophila-1(10),11(13)-dien-12-oic acid
1beta-acetoxy-3-oxo-eremophila-9,11(13)-dien-12-oic acid
8beta-ethoxy-9alpha-hydroxy-14-oxo-acanthospermolide
(Z)-6alpha,7alpha-epoxy-1beta-hydroxy-8-oxoeremophila-9,11-dien-13-yl acetate|xylarenone b
methyl 2-chloro-2-carboxy-6,10-dimethylundecanoate
(10alphaH)-6beta-acetoxy-1alpha-hydroxyfuranoeremophilan-9-one|(4R*,4aS*,5R*,8R*,8aR*)-4,4a,5,6,7,8,8a,9-octahydro-8-hydroxy-3,4a,5-trimethyl-9-oxonaphtho[2,3-b]furan-4-yl acetate
hiiranlactone A|methyl 2-[(5R*,6S*,7aS*)-7a-methoxy-3,6-dimethyl-2-oxo-6-vinyl-2,4,5,6,7,7a-hexahydrobenzofuran-5-yl]acrylate
(1S,5S,7R,8S,10R)-14-acetoxy-4-oxopseudoguai-11(13)-en-12,8-olide
A pseudoguaianolide with anti-inflammatory activity isolated from the aerial parts of Inula hupehensis.
1-(4-hydroxy-3-methoxyphenyl)-5-methoxy-1-decen-3-one|O-methyldehydrogingerol
(R)-7-butyl-6,8-dihydroxy-3-pentylisochroman-1-one
(E)-4-(3-acetoxyprop-1-enyl)-2-methoxyphenyl (S)-2-methylbutanoate
1-Ac-(1beta,8beta)-1,8-Dihydroxy-3,7(11)-eudesmadien-12,8-olide
Asperentin 6-methyl ether|Asperentin-6-O-methylaether
(5R,6R,7R,8S,10R)-8-acetoxy-15-hydroxyelema-1,3,11(13)-trien-6,12-olide
6-(3-ethoxy-2-hydroxy-3-methyl-butyl)-7-methoxy-chromen-2-one
3-geranyl-4-hydroxy-6-(2-hydroxypropyl)-2-pyrone|aurantiacone|geranyl-alpha-pyrone (+/-)-aurantiacone
12-acetoxy-5beta-methoxy-6(14)-dehydro-5,6-dihydrocaryophyllen-7-one
8alpha-Acetoxy-3,4-didehydro-4,5-dihydro-5alpha-hydroxyosmitopsin
8beta-acetoxy-14-oxo-11beta,13-dihydroacanthospermolide
3,5-Bis(2-hydroxy-3-methyl-3-butenyl)-4-hydroxybenzoic acid
5alpha-Acetoxy-1beta,4beta-epoxygermacra-10(14),11-dien-12,8alpha-olid
14-acetoxy-4beta-hydroxy-5alphaH-guaia-1(10),2-dien-12,6alpha-olide
Propanoyl-15-Hydroxy-3,11(13)-eudesmadien-12-oic acid
(1S,5S,6S,7S,10R)-1-hydroxy-15-acetoxyeudesma-4(15),11(13)-dien-6,12-olide
(11R)-6alpha-acetoxy-8beta-hydroxy-3-oxo-1beta-guai-4-en-12-oic acid-lactone|(11R)-6alpha-Acetoxy-8beta-hydroxy-3-oxo-1beta-guaj-4-en-12-saeure-lacton|geigerin acetate
2-(1beta-geranyl-5beta-hydroxy-2-oxocyclohex-3-enyl)acetic acid|2-(1??-Geranyl-5??-hydroxy-2-oxocyclohex-3-enyl)acetic acid
1beta,13,14,15-tetrahydroxy-8,11,13-podocarpatrien-7-one
3beta-acetoxy-2-oxo-eremophila-1(10),11(13)-dien-12-oic acid
2-hydroxy-4-methoxy-3-(3-methylbut-2-enyl)-6-pentylbenzoic acid
(E)-N-(4-acetamidobutyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
Fenazaquin
CONFIDENCE Reference Standard (Level 1); Source fenazaquin_30102013_12_HCD30_pos.txt
C17H22O5_Cyclodeca[b]furan-2(3H)-one, 10-[(acetyloxy)methyl]-3a,4,5,8,9,11a-hexahydro-6-(hydroxymethyl)-3-methylene-, (3aS,6Z,10Z,11aR)
C17H22O5_9a-Hydroxy-3,8a-dimethyl-5-methylene-2-oxo-2,4,4a,5,6,7,8,8a,9,9a-decahydronaphtho[2,3-b]furan-6-yl acetate
C17H22O5_3-(12-Hydroxy-5,9-dimethyl-4-oxo-8-oxatetracyclo[7.2.1.1~7,10~.0~1,6~]tridec-2-en-5-yl)propanoic acid
C17H22O5_9a-Hydroxy-3,8a-dimethyl-5-methylene-2-oxo-2,4,4a,5,6,7,8,8a,9,9a-decahydronaphtho[2,3-b]furan-8-yl acetate
C17H22O5_(3R,3aR,4aR,7aR,8R,9aR)-3,4a,8-Trimethyl-2,5-dioxo-2,3,3a,4,4a,5,7a,8,9,9a-decahydroazuleno[6,5-b]furan-4-yl acetate
(9a-hydroxy-3,8a-dimethyl-5-methylidene-2-oxo-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran-8-yl) acetate
[(1R,3aR,5R,5aR,8aR,9aR)-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] acetate
[(3aS,6Z,10Z,11aR)-6-(hydroxymethyl)-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-10-yl]methyl acetate
1COOH-2But-A7EO2-OCH2COOH
Literature spectrum; CONFIDENCE Tentative identification: isomers possible (Level 3); Could be alkyl homologue of given structure; Digitised from figure: approximate intensities
(E)-N-(4-acetamidobutyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide [IIN-based on: CCMSLIB00000848670]
(E)-N-(4-acetamidobutyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide [IIN-based on: CCMSLIB00000848669]
(E)-N-(4-acetamidobutyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide [IIN-based: Match]
[(1R,3aR,5R,5aR,8aR,9aR)-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] acetate_major
Latanoprost Lactol
1-(b-D-Glucopyranosyloxy)-3-octanone
capsiate
Capsiate, as a capsaicin analogue extracted from a non-pungent cultivar of CH-19 sweet red pepper, is an orally active agonist of TRPV1[1]. Capsiate, as a capsaicin analogue extracted from a non-pungent cultivar of CH-19 sweet red pepper, is an orally active agonist of TRPV1[1].
Achillicin
(2E)-N-(4-Acetamidobutyl)-3-(4-hydroxy-3-methoxyphenyl)acrylamide
2-Methyl-2-propanyl (2-hydroxyethyl)(1,2,3,4-tetrahydro-2-quinoli nylmethyl)carbamate
C17H26N2O3 (306.19433260000005)
tert-Butyl ((4-benzylMorpholin-3-yl)Methyl)carbamate
C17H26N2O3 (306.19433260000005)
(-)-1,2-BIS[(2R,5R)-2,5-DIMETHYLPHOSPHOLANO]BENZENE
Ruxolitinib
D - Dermatologicals > D11 - Other dermatological preparations > D11A - Other dermatological preparations > D11AH - Agents for dermatitis, excluding corticosteroids L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors > L01EJ - Janus-associated kinase (jak) inhibitors C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor COVID info from Guide to PHARMACOLOGY, clinicaltrial, clinicaltrials, clinical trial, clinical trials C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C172200 - JAK Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C125450 - JAK2 Inhibitor Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Androst-5-en-17-one,16-fluoro-3-hydroxy-, (3b,16a)- (9CI)
TERT-BUTYL 4-[3-(HYDROXYMETHYL)BENZYL]TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE
C17H26N2O3 (306.19433260000005)
1-BOC-4-(4-AMINO-2-METHYLPHENOXY)PIPERIDINE
C17H26N2O3 (306.19433260000005)
1-PYRROLIDIN-2-(N-CBZ-N-METHYL)AMINO-3-HYDROXYL-BUTANE
C17H26N2O3 (306.19433260000005)
3-(8-(TERT-BUTOXYCARBONYL)-5,6,7,8-TETRAHYDRO-1,8-NAPHTHYRIDIN-2-YL)PROPANOIC ACID
1-([1,2,4]TRIAZOLO[1,5-A]PYRIDIN-6-YL)-1-((TERT-BUTYLDIMETHYLSILYL)OXY)PROPAN-2-AMINE
methyl 2-[4-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate
Diethyl 3-(benzyloxy)cyclobutane-1,1-dicarboxylate
Urea, N-(5,7-dimethyl-1,8-naphthyridin-2-yl)-N-(3-methylphenyl)- (9CI)
N,N-BIS(2-HYDROXYETHYL)-N-(ALPHA,ALPHA-DIMETHYL-3-ISOPROPENYLBENZYL)UREA
C17H26N2O3 (306.19433260000005)
4-(3-Ethylthioureido)phenylboronic acid, pinacol ester
C15H23BN2O2S (306.15732080000004)
furan-2,5-dione compound with propane-1,2-diol and 3a,4,7,7a-tetrahydro-1H-4,7-methanoindene (1:1:1)
(R)-1-BOC-4-BENZYL-2-(HYDROXYMETHYL)PIPERAZINE
C17H26N2O3 (306.19433260000005)
tert-Butyl 5-fluorospiro[indoline-3,4-piperidine]-1-carboxylate
C17H23FN2O2 (306.17434699999995)
2-hydroxyethyl-[2-hydroxy-3-[2-hydroxyethyl(dimethyl)azaniumyl]propyl]-dimethylazanium,dichloride
C11H28Cl2N2O3 (306.14768779999997)
(R)-N-(2-PROPYL)-1-PHENYLETHYLAMINEHYDROCHLORIDE
C17H26N2O3 (306.19433260000005)
2,2,4,4,6,6-Hexaethyl-1,3,5,2,4,6-trioxatrisilinane
(4-[4-(TERT-BUTOXYCARBONYL)PIPERAZIN-1-YL]PHENYL)BORONIC ACID
3-Ethoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-2-methyl-3-oxopropanoic acid
2-[bis(trideuteriomethyl)amino]ethyl 4-(butylamino)benzoate,hydrochloride
C15H19ClD6N2O2 (306.198109068)
2,3-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-quinoxaline-6-carboxylic acid
3-benzo[1,3]dioxol-5-yl-piperazine-1-carboxylic acid tert-butyl ester
Tert-Butyl 5-Fluorospiro[Indoline-3,4-Piperidine]-1-Carboxylate
C17H23FN2O2 (306.17434699999995)
4-[(2,4-Dimethylphenyl)azo]-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one
BENZYL 4-(METHOXY(METHYL)CARBAMOYL)PIPERIDINE-1-CARBOXYLATE
METHYL 3-ETHOXY-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOATE
1-Boc-4-(2-hydroxymethylphenylamino)piperidine
C17H26N2O3 (306.19433260000005)
TERT-BUTYL 4-(4-METHOXYANILINO)TETRAHYDRO-1(2H)-PYRIDINECARBOXYLATE
C17H26N2O3 (306.19433260000005)
2-Ethoxycarbonylmethoxy-4-(3-methyl-2-butenyloxy) acetophenone
Roxatidine
C17H26N2O3 (306.19433260000005)
A - Alimentary tract and metabolism > A02 - Drugs for acid related disorders > A02B - Drugs for peptic ulcer and gastro-oesophageal reflux disease (gord) > A02BA - H2-receptor antagonists C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29702 - Histamine-2 Receptor Antagonist D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents Roxatidine is an active metabolite of Roxatidine acetate hydrochloride, is a histamine H2-receptor antagonist. Roxatidine, an anti-ulcer agent, suppresses histamine release (thus inhibiting proton secretion) and inhibits the production of VEGF-1, an important marker of inflammation and angiogenesis. Anti-allergic inflammatory effect[1].
1-Benzyl-3-(hydroxymethyl)-3-Boc-aminopyrrolidine
C17H26N2O3 (306.19433260000005)
(7R,9R)-7,9-METHANO-3,8,8-TRIMETHYL-4A,5,8,9-TETRAHYDRO-1H,7H-PYRANO[4,3-B]BENZOPYRAN-1-ONE
BENZYL ((S)-1-(METHYLAMINO)-3-((R)-TETRAHYDRO-2H-PYRAN-3-YL)PROPAN-2-YL)CARBAMATE
C17H26N2O3 (306.19433260000005)
2-[4,5-Dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-5-ethyl-3-pyridinecarboxylic acid ammonium salt
(S)-1-BOC-4-BENZYL-2-(HYDROXYMETHYL)PIPERAZINE
C17H26N2O3 (306.19433260000005)
1-methoxy-1-methyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
1-(TERT-BUTOXYCARBONYL)-4-(PYRIDIN-4-YL)PIPERIDINE-4-CARBOXYLIC ACID
1-(2-{2-[(Allyloxy)methyl]-4-nitrophenoxy}ethyl)pyrrolidine
ETHYL 2-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENOXY)ACETATE
1H-Benzotriazole,1-[(3S,5R,7aR)-hexahydro-3-phenylpyrrolo[2,1-b]oxazol-5-yl]-
CIS-STILBENEBORONIC ACID PINACOL ESTER
C20H23BO2 (306.17910079999996)
tert-Butyl 4-(3-formyl-4-hydroxyphenyl)piperazine-1-carboxylate
1-(TERT-BUTOXYCARBONYL)-4-(PYRIDIN-2-YL)PIPERIDINE-4-CARBOXYLIC ACID
TERT-BUTYL 4-[4-(HYDROXYMETHYL)BENZYL]TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE
C17H26N2O3 (306.19433260000005)
5-[4-(2-METHOXY-PHENYL)-PIPERAZIN-1-YL]-5-OXO-PENTANOIC ACID
N-Isopropyl-2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
1-(1-Piperazinyl)-3-(3,4,5-trimethoxyphenyl)-2-propen-1-one
[3-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-PHENOXY]-ACETIC ACID ETHYL ESTER
(+)-1,2-bis-((2S,5S)-2,5-Dimethylphospholano)benzene
1-Piperazinecarboxylic acid, 4-[6-(formylamino)-3-pyridinyl]-, 1,1-dimethylethyl ester
Deuruxolitinib
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C172200 - JAK Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C125450 - JAK2 Inhibitor
3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1-pyrazolyl]propanenitrile
Corrin
A corrin is a macrocycle related to the porphyrin ring in hemoglobin, consisting of 4 pyrrole subunits, joined on opposite sides by a C-CH3 methylene link, on one side by a C-H methylene link, and with the two of the pyrroles joined directly. Compared to a porphyrin, it is missing a bridging methylene group between a pair of pyrroles. This ring is central to the cobalt containing vitamin, vitamin B12, or cobalamin. Corrins have properties related to porphyrins. An example of a corrinoid is cyanocobalamin. Cyanocobalamin is an especially common vitamer of the B-12 vitamin family. [HMDB]
Barbituric acid, 1,3-diallyl-5-ethyl-5-(1-methylbutyl)-
C17H26N2O3 (306.19433260000005)
(3R,4R)-(-)-6-methoxy-1-oxo-3-n-pentyl-3,4-dihydro-1H-isochromen-4-yl-acetate
A member of the class of isochromanes that is 3,4-dihydroisocoumarin substituted by an acetoxy group at position 4, a methoxy group at position 6 and a pentyl group at position 3. Isolated from Xyris pterygoblephara, it exhibits activity against dermatophyte fungi.
Monoisodecyl phthalate
A phthalic acid monoester obtained by formal condensation of one of the carboxy groups of phthalic acid with the hydroxy group of isodecanol.
3-[[2-(3-Hexylanilino)-2-oxoethyl]amino]propanoic acid
C17H26N2O3 (306.19433260000005)
N-isopropyl-2-methyl-3-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidin-8-amine
N~3~-[3-(5-Methoxypyridin-3-Yl)benzyl]pyridine-2,3-Diamine
(1S,7S,8S,8AR)-1,2,3,7,8,8A-Hexahydro-7-methyl-8-[2-[(2R,4R)-tetrahydro-4-HY droxy-6-oxo-2H-pyran-2-YL]ethyl]-1-naphthalenol
trans-2-Hydroxyisoxypropyl-3-hydroxy-7-isopentene-2,3-dihydrobenzofuran-5-carboxylic acid
A member of the class of 1-benzofurans that is 2,3-dihydro-1-benzofuran substituted by a hydroxy group at position 3, a hydroxyisopropyl group at position 2, a carboxy group at position 5 and a prenyl group at position 7 (the 2S,3S stereoisomer) . Isolated from the rhizomes of Atractylodes lancea, it exhibits cytotoxicity against cancer cell lines HCT-116 and MKN-45.
[(1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate
[4-[(Z)-2-(8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl)prop-1-enyl]phenyl]methanol
[3-Carboxy-2-(4-carboxy-3-hydroxypentanoyl)oxypropyl]-trimethylazanium
C13H24NO7+ (306.15526939999995)
[3-Carboxy-2-(5-carboxy-3-hydroxypentanoyl)oxypropyl]-trimethylazanium
C13H24NO7+ (306.15526939999995)
[3-Carboxy-2-(3-carboxy-3-hydroxypentanoyl)oxypropyl]-trimethylazanium
C13H24NO7+ (306.15526939999995)
(S)-1-Methyloctyl Caffeate
An alkyl caffeate ester obtained by the formal condensation of trans-caffeic acid with nonan-2-ol. Isolated from the leaves of Piper sanguineispicum, it has been shown to exhibit antileishmanial activity.
N-dodecanoyltaurine(1-)
A fatty acid-taurine conjugate obtained by deprotonation of the sulfonate group of N-dodecanoyltaurine; major species at pH 7.3.
6Alpha-Acetoxyisoinuviscolide
A sesquiterpene lactone that is 3a,4,4a,5,6,7,7a,9a-octahydroazuleno[6,5-b]furan-2(3H)-one substituted by a hydroxy group at position 5, methyl groups at positions 5 and 8, a methylidene group at position 3 and an acetoxy group at position 4. It has been isolated from the aerial parts of Inula hupehensis.
[(3S,3aR,4S,6R,9bS)-6-hydroxy-3,6,9-trimethyl-2-oxo-3,3a,4,5,8,9b-hexahydroazuleno[4,5-b]furan-4-yl] acetate
3-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
N-butan-2-yl-1-[2-(4-fluorophenyl)ethyl]-5-oxo-3-pyrrolidinecarboxamide
C17H23FN2O2 (306.17434699999995)
4-[[4-(1-Pyrrolidinyl)-2-quinazolinyl]amino]phenol
N-(2,3-dihydro-1H-inden-5-yl)-5,7-dimethyl-3-pyrazolo[1,5-a]pyrimidinecarboxamide
14-Hydroxyplatensic Acid
A polycyclic cage that is the 14-hydroxy derivative of platensic acid. It is isolated from Streptomyces platensis.
1-[5-[2-(tert-butylamino)-4H-1,3,4-thiadiazin-5-ylidene]-2,4-dimethyl-3-pyrrolyl]ethanone
N-[(E)-benzylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide
6-[1-oxo-3(R)-hydroxy-butyl]-5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran
A member of the class of chromenes that is 2H-chromene substituted by geminal methyl groups at position 2, methoxy groups at positions 5 and 7 and a (3R)-3-hydroxybutanoyl group at position 6. Isolated from the leaves of Mallotus apelta, it exhibits antineoplastic activity.
(4R,6R)-6-[2-[(1S,2S,8S,8aR)-8-hydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-hydroxy-tetrahydropyran-2-one
(3R)-8-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-hydroxyoctanoic acid
(3R,7R)-7-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-hydroxyoctanoic acid
(1S,5R)-7-[4-[(E)-prop-1-enyl]phenyl]-3-(pyrimidin-5-ylmethyl)-3,6-diazabicyclo[3.1.1]heptane
6-[4-(5,5-Dimethyltetrahydrofuran-3-yl)phenoxy]hexanoic acid
(2R)-5-[(2R)-6-hydroxy-2,7,8-trimethyl-3,4-dihydro-2H-1-benzopyran-2-yl]-2-methylpentanoic acid
2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,4,6-trihydroxybenzoic acid
[(3aS,10Z,11aR)-6-(hydroxymethyl)-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-10-yl]methyl acetate
[3-(3-Butanoyloxy-2-hydroxypropoxy)-1-carboxypropyl]-trimethylazanium
C14H28NO6+ (306.19165280000004)
Feruloylagmatine
A member of the class of cinnamamides obtained by formal condensation of the carboxy group of ferulic acid with the amino group of agmatine.
[1-[(3aR,7S,8aS)-7-methyl-3-methylidene-2-oxo-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-6-yl]-3-oxobutyl] acetate
[(1R,3aS,5R,5aR,8aR,9R,9aR)-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] acetate
Diamyl phthalate
Dipentyl phthalate is an endocrine-disrupting phthalate plasticizer. Dipentyl phthalate increases AMPK phosphorylation and decreases AKT1 phosphorylation and SIRT1 levels. Dipentyl phthalate reduces adrenocorticotropic hormone levels. Dipentyl phthalate is a testicular toxicant[1]. Dipentyl phthalate is an endocrine-disrupting phthalate plasticizer. Dipentyl phthalate increases AMPK phosphorylation and decreases AKT1 phosphorylation and SIRT1 levels. Dipentyl phthalate reduces adrenocorticotropic hormone levels. Dipentyl phthalate is a testicular toxicant[1].
CASIN
CASIN is a selective GTPase Cdc42 inhibitor with an IC50 of 2 uM. CASIN can be used for the research of cancer[1][2].
methyl 2-[7-(acetyloxy)-4a,8-dimethyl-2,3,4,5,6,7-hexahydro-1h-naphthalen-2-yl]prop-2-enoate
ethyl (1s,2r,9s,10s)-6-oxo-10-(prop-2-en-1-yl)-7,11-diazatricyclo[7.3.1.0²,⁷]tridecane-11-carboxylate
C17H26N2O3 (306.19433260000005)