Exact Mass: 314.1881846
Exact Mass Matches: 314.1881846
Found 297 metabolites which its exact mass value is equals to given mass value 314.1881846,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Pergolide
C19H26N2S (314.18165960000005)
Pergolide is a long-acting dopamine agonist approved in 1982 for the treatment of Parkinsons Disease. It is an ergot derivative that acts on the dopamine D2 and D3, alpha2- and alpha1-adrenergic, and 5-hydroxytryptamine (5-HT) receptors. It was indicated as adjunct therapy with levodopa/carbidopa in the symptomatic treatment of parkinsonian syndrome. It was later found that pergolide increased the risk of cardiac valvulopathy. The drug was withdrawn from the US market in March 2007 and from the Canadian market in August 2007. N - Nervous system > N04 - Anti-parkinson drugs > N04B - Dopaminergic agents > N04BC - Dopamine agonists D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists C78272 - Agent Affecting Nervous System > C38149 - Antiparkinsonian Agent C78272 - Agent Affecting Nervous System > C66884 - Dopamine Agonist
10beta-Hydroxynorethindrone
17beta-Acetylestradiol
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones β-Estradiol 17-acetate is a metabolite of estradiol. Target: Others β-Estradiol 17-acetate is a metabolite of estradiol.
4-Ketoretinoic acid
D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids all-trans-4-Oxoretinoic acid, an active metabolite of vitamin A, induces gene transcription via binding to nuclear retinoic acid receptors (RARs).
Momilactone A
Momilactone A is found in cereals and cereal products. Momilactone A is a constituent of Oryza sativa (rice). Momilactone A. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=51415-07-7 (retrieved 2024-09-06) (CAS RN: 51415-07-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
Kahweol
Pulegone, also known as (+)-(R)-pulegone or (1r)-(+)-P-menth-4(8)-en-3-one, is a member of the class of compounds known as menthane monoterpenoids. Menthane monoterpenoids are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes. Thus, pulegone is considered to be an isoprenoid lipid molecule. Pulegone is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Pulegone can be found in a number of food items such as globe artichoke, sacred lotus, garden onion, and rubus (blackberry, raspberry), which makes pulegone a potential biomarker for the consumption of these food products. Pulegone can be found primarily in saliva. Pulegone is a naturally occurring organic compound obtained from the essential oils of a variety of plants such as Nepeta cataria (catnip), Mentha piperita, and pennyroyal. It is classified as a monoterpene . Kahweol is found in arabica coffee. Kahweol is present in boiled type-coffee beverages. May possess hypercholesterolaemic activity. Constit of coffee bean oil Kahweol is a diterpene molecule found in the beans of Coffea arabica. It is structurally related to cafestol Kahweol is one of the consituents of the coffee from Coffea Arabica with anti-inflammatory anti-angiogenic, and anti-cancerous activities. Kahweol inhibits adipogenesis and increase glucose uptake by AMP-activated protein kinase (AMPK) activation. Kahweol induces apoptosis. Kahweol is one of the consituents of the coffee from Coffea Arabica with anti-inflammatory anti-angiogenic, and anti-cancerous activities. Kahweol inhibits adipogenesis and increase glucose uptake by AMP-activated protein kinase (AMPK) activation. Kahweol induces apoptosis.
4-oxo-Retinoic acid
4-oxo-Retinoic acid is a biologically active geometric isomer of retinoic acid (RA). 4-oxo-retinoic acid is generated from its precursor canthaxanthin and enhances gap junctional communication in cells. Metabolic transformation of all-trans RA to 4-hydroxylated RA appears to be primarily catalyzed by the cytochrome P 450 (CYP) 26AI in human skin cells. Cellular levels of all-trans RA are meticulously regulated utilizing an array of systems to balance uptake, biosynthesis, catabolism, and efflux transport. RA is a critical regulator of gene expression during embryonic development and in the maintenance of adult epithelial tissues. (PMID: 8794203, 7893159, 17330217, 16778795, 17460545) [HMDB] 4-oxo-Retinoic acid is a biologically active geometric isomer of retinoic acid (RA). 4-oxo-retinoic acid is generated from its precursor canthaxanthin and enhances gap junctional communication in cells. Metabolic transformation of all-trans RA to 4-hydroxylated RA appears to be primarily catalyzed by the cytochrome P 450 (CYP) 26AI in human skin cells. Cellular levels of all-trans RA are meticulously regulated utilizing an array of systems to balance uptake, biosynthesis, catabolism, and efflux transport. RA is a critical regulator of gene expression during embryonic development and in the maintenance of adult epithelial tissues. (PMID: 8794203, 7893159, 17330217, 16778795, 17460545). D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids all-trans-4-Oxoretinoic acid, an active metabolite of vitamin A, induces gene transcription via binding to nuclear retinoic acid receptors (RARs).
Methyl cis-p-coumarate 3-(3,7-dimethyl-2,6-octadienyl)
Methyl cis-p-coumarate 3-(3,7-dimethyl-2,6-octadienyl) is a constituent of Boronia megastigma (brown boronia). Constituent of Boronia megastigma (brown boronia)
Prexanthoperol
Xanthoperol is found in fruits. Xanthoperol is a constituent of Juniperus communis (juniper) Constituent of Juniperus communis (juniper). Xanthoperol is found in fruits.
12-Hydroxy-7-oxo-8,11,13-abietatrien-18-al
12-Hydroxy-7-oxo-8,11,13-abietatrien-18-al is found in alcoholic beverages. 12-Hydroxy-7-oxo-8,11,13-abietatrien-18-al is a constituent of Salvia sclarea (clary sage). Constituent of Salvia sclarea (clary sage). 12-Hydroxy-7-oxo-8,11,13-abietatrien-18-al is found in tea, alcoholic beverages, and herbs and spices.
3,4,4'-Trihydroxy-5,5'-diisopropyl-2,2'-dimethylbiphenyl
3,4,4-Trihydroxy-5,5-diisopropyl-2,2-dimethylbiphenyl is found in herbs and spices. 3,4,4-Trihydroxy-5,5-diisopropyl-2,2-dimethylbiphenyl is a constituent of Thymus vulgaris (thyme). Constituent of Thymus vulgaris (thyme). 3,4,4-Trihydroxy-5,5-diisopropyl-2,2-dimethylbiphenyl is found in herbs and spices.
4-Oxo-13-cis-retinoate
4-oxo-9-cis retinoic acid (4-oxo-9cRA) is identified as a major plasma metabolite of 9-cis retinoic acid. Plasma levels of 4-oxo-9-cRA were initially 71\\% of those of 9cRA, but in contrast to 9cRA, there was no decline in plasma levels.Despite a decline in plasma levels of 9cRA over time, levels of the 4-oxo metabolite tended to persist. While the 4-oxo metabolite is less potent than the parent compound [HMDB] 4-oxo-9-cis retinoic acid (4-oxo-9cRA) is identified as a major plasma metabolite of 9-cis retinoic acid. Plasma levels of 4-oxo-9-cRA were initially 71\\% of those of 9cRA, but in contrast to 9cRA, there was no decline in plasma levels.Despite a decline in plasma levels of 9cRA over time, levels of the 4-oxo metabolite tended to persist. While the 4-oxo metabolite is less potent than the parent compound.
Yucalexin B5
Yucalexin B5 is found in root vegetables. Yucalexin B5 is a constituent of cassava roots Manihot esculenta. Constituent of cassava roots Manihot esculenta. Yucalexin B5 is found in root vegetables.
All-trans 4-Keto Retinoic Acid
N-(N-(3-Carboxyoxirane-2-carbonyl)leucyl)isoamylamine
Kahweol
Kahweol is a diterpenoid with formula C20H26O3, isolated from the beans of Coffea arabica. It exhibits antioxidant, anti-inflammatory, anti-angiogenesis and anti-proliferative properties. It has a role as an angiogenesis inhibitor, an apoptosis inducer, an antioxidant, an anti-inflammatory agent, an antineoplastic agent and a plant metabolite. It is a diterpenoid, a member of furans, an organic heteropentacyclic compound, a tertiary alcohol and a primary alcohol. Kahweol is a natural product found in Coffea, Coffea arabica, and other organisms with data available. A diterpenoid with formula C20H26O3, isolated from the beans of Coffea arabica. It exhibits antioxidant, anti-inflammatory, anti-angiogenesis and anti-proliferative properties. Kahweol is one of the consituents of the coffee from Coffea Arabica with anti-inflammatory anti-angiogenic, and anti-cancerous activities. Kahweol inhibits adipogenesis and increase glucose uptake by AMP-activated protein kinase (AMPK) activation. Kahweol induces apoptosis. Kahweol is one of the consituents of the coffee from Coffea Arabica with anti-inflammatory anti-angiogenic, and anti-cancerous activities. Kahweol inhibits adipogenesis and increase glucose uptake by AMP-activated protein kinase (AMPK) activation. Kahweol induces apoptosis.
6beta-Angeloyloxyeuryopsin
Salvinolone
Salvinolone is a natural product found in Salvia bracteata, Salvia dichroantha, and other organisms with data available.
2-Isopropyl-3,4-dihydroxy-4b,8,8-trimethyl-5,6,7,8-tetrahydro-4bH-fluorene-1-carbaldehyde
3-Hydroxy-2-(3-hydroxy-3-methylbutyl)-5-methoxybibenzyl
10-hydroxy-9-methyl-15-oxo-20-norkaur-16-en-18-oic acid gamma-lactone
3-oxolabda-8(17),11,13-trien-15(16)-olide|curcucomosin A
4-Methyl-2-[(2,3-dimethyl-2,6(1)-cyclohexadien-1-yl)methyl]-3-[[(3-methyl-2-butenoyl)oxy]methyl]furan
(-)-(4S,5S,10R)-12,18-dihydroxyabieta-8,10,12-trien-20-oic acid 18,20-lactone
7-[2-(3-furyl)ethyl]-7,8-dimethyl-3,5,6,6a,7,8,9,10-octahydro-1h-naphtho[1,8a-c]furan-3-one
1,14-dioxocyatha-2,11-diene-12-carbaldehyde|cyrneine C
(ent-12alpha)-form-7-Oxo-8,13(15)-abietadien-16,12-olide|7-oxo-ent-abieta-8,13(15)-dien-12alpha,16-olide
13,18-dihydroxy-1,8,11,13-totaratetraen-3-one|trogopteroid G
6-[2-(furan-3-yl)ethyl]-1,5,6-trimethyl-10-oxatricyclo[7.2.1.02,7]dodec-2(7)-en-11-one
9-hydroxy hedychenone|9-hydroxy-15,16-epoxy-7,11,13(16),14-labdatetraen-6-one
(S)-12-Hydroxy-11,14-dioxabieta-5,8,12-triene|6-dehydroroyleanone
11,12,16-trihydroxy-20(10->5)abeo-abieta-1(10),6,8,11,13-pentaene
13-hydroxy-6,8,11,13-podocarpatrien-19-oic acid|inumakiol F
3,4,18beta-cyclopropa-14-oxo-ent-abiet-7-en-16,12-olide|retusolide E
13-hydroxytotara-7,9,13-trien-6,12-dione|Maytenochinon|Maytenoquinon|maytenoquinone
1-(4-hydroxy-3-methoxyphenyl)-7-phenyl-3-heptanol|oxyphyllacinol
(-)-(4S,5S,8R,10R,20S)-8,18-dihydroxy-12-oxo-abieta-9(11),13-dien-20-aldehyde 8,18,20-acetal
An abietane diterpenoid isolated from the stem bark of Fraxinus sieboldiana.
10beta,11-dihydroxy-12,16-epoxy-9(10-20)-abeo-abieta-6,8,11,13-tetraene|latifolionol
3-(4-hydroxy-3,5-bis(3-methyl-2-butenyl)phenyl)acrylic acid methyl ester|artepillin C methyl ester
2-(3-Hydroxy-3-methylbutyl)-5-methoxy-3-(2-phenylethyl)phenol
5alpha-Hydroxy-5,10-dihydroprintziasaeurelacton|5alpha-Methoxy-5,10-dihydroprintzianic acid lactone
(4bS)-4-Hydroxy-2-(alpha-hydroxy-isopropyl)-4b,8,8-trimethyl-5,6,7,8-tetrahydro-4bH-phenanthren-3-on|(4bS)-4-hydroxy-2-(alpha-hydroxy-isopropyl)-4b,8,8-trimethyl-5,6,7,8-tetrahydro-4bH-phenanthren-3-one|Fuerstion|Fuerstione
(-)-dichroanone|(-)-taiwaniaquinone H|12-methoxy-11,14-dioxo-6-nor-5(6->7)abeo-abieta-5(7),8,12-triene|taiwaniaquinone H
3beta-hydroxy-8,11,13,15-abietatetraen-18-oic acid
(1S*,2S*,3E,7E,12Z)-11-oxocembra-3,7,12(13),15(17)-tetraen-16,2-olide|crassocolide O
17-hydroxyabieta-8,11,13,15-tetraen-19-oic acid|jiadifenoic acid C
(2E)-3-(4-((E)-3,7-dimethylocta-2,6-dienyloxy)-3-methoxyphenyl)acrylaldehyde|(2E)-3-(4-{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-3-methoxyphenyl)prop-2-enal
(4aS)-4,4a,9,10-tetrahydro-5-hydroxy-8-methoxy-1,4a-dimethyl-7-(1-methylethyl)-phenanthren-2(3H)-one|triptobenzene S
11-hydroxy-8,11,13-abietriene-16,12-olide|crossogumerin D
15-hydroxy-18-norabieta-3,8,11,13-tetraen-3-oic acid methyl ester
3-Hydoxy-11beta-methoxy-D-homoestra-1,3,5(10)trien-17a-on
(3S,5S,10S)-3beta-Hydroxy-7alpha,16-7beta,20-diepoxycleistantha-8,11,13-triene
(13S,18R)-5,18:13,18-diepoxyserrulat-14-en-8-ol|5,18:13,18-Diepoxy-14-serrulaten-8-ol
14-hydroxy-1-oxocyatha-2,5(10),11-triene-12-carbaldehyde|glaucopine C
yunnacoranarin D|yunnacoronarin D|Yunnancoronarin D
(4aRS,9SR,10aSR)-1,3,4,9,10,10a-hexahydro-1,1-dimethyl-7-(1-methyethyl)-2H-9,4a-(epoxymethano)phenanthrene-5,6-dione|przewalskin G
10-isopropyl-2,2,6-trimethyl-2,3,4,5-tetrahydronaphtha[1,8-bc]oxocine-5,11-diol
(8Z,11Z,14Z,17E)-5-(2,5,8,11-Tetradecatetraenyl)-2-furanacetic acid
3,11,14-oxo-abieta-8,12-diene|3,11,14-trioxoabieta-8,12-diene|triptoquinone H
Jolkinolide A
Jolkinolide A is a diterpene lactone. It has a role as a metabolite. Jolkinolide A is a natural product found in Euphorbia fischeriana, Euphorbia portulacoides, and other organisms with data available. A natural product found in Euphorbia fischeriana.
12-Oxograndiflorenic acid
Oxyphyllacinol
Oxyphyllacinol is a natural product found in Alpinia oxyphylla with data available. Oxyphyllacinol is a natural product that can be derived from the fruit of Alpinia oxyphylla[1]. Oxyphyllacinol is a natural product that can be derived from the fruit of Alpinia oxyphylla[1].
Pergolide
C19H26N2S (314.18165960000005)
N - Nervous system > N04 - Anti-parkinson drugs > N04B - Dopaminergic agents > N04BC - Dopamine agonists D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists C78272 - Agent Affecting Nervous System > C38149 - Antiparkinsonian Agent C78272 - Agent Affecting Nervous System > C66884 - Dopamine Agonist relative retention time with respect to 9-anthracene Carboxylic Acid is 0.736 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.732 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.731
C20H26O3_1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-9-oxo
1,4a-dimethyl-9-oxo-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid
Estradiene dione-3-keta
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 1049
Estradiol Acetate
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen
E-64c
4-Oxoisotretinoin
D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids
Hypargenin C
3,4,4-Trihydroxy-5,5-diisopropyl-2,2-dimethylbiphenyl
12-Hydroxy-7-oxo-8,11,13-abietatrien-18-al
Methyl cis-p-coumarate 3-(3,7-dimethyl-2,6-octadienyl)
3-PHENYL-1-(PYRIDIN-2-YL)-5,6,7,8,9,10-HEXAHYDROCYCLOOCTA[C]PYRIDINE
1,2-difluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene
1-(4-Methoxybenzyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
C17H23BN2O3 (314.18016380000006)
1-(2-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENOXY)ETHYL)-1H-PYRAZOLE
C17H23BN2O3 (314.18016380000006)
β-Estradiol 17-acetate
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones β-Estradiol 17-acetate is a metabolite of estradiol. Target: Others β-Estradiol 17-acetate is a metabolite of estradiol.
3-{(3R,4R)-3-[6,7-Dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl(methyl)amino]-4-methyl-1-piperidinyl}-3-oxopropanenitrile
(2S,5S)-ethyl 1-((S)-2-(methoxycarbonylamino)-3-methylbutanoyl)-5-methylpyrrolidine-2-carboxylate
(2E,4E,6E,8E)-9-(2-acetyl-5,5-dimethylcyclopenten-1-yl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid
D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids
9-Hydroxy hedychenone
A labdane diterpenoid that is 15,16-epoxy-7,11,13(16)14-labdatetraen-6-one substituted by a hydroxy group at position 9. Isolated from the rhizomes of Hedychium spicatum, it exhibits cytotoxicity against the Colo-205 (Colo-cancer), A-431 (skin cancer), MCF-7 (breast cancer), A-549 (lung cancer) and Chinese hamster ovary cells (CHO).
N2-(4-methoxyphenyl)-6-(1-piperidinylmethyl)-1,3,5-triazine-2,4-diamine
4-Keto 9-cis Retinoic Acid
D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids
Triptoquinone H
An abietane diterpenoid with formula C20H26O3, originally isolated from Tripterygium hypoglaucum.
(3-Hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) acetate
(1R,5R,12R)-5-ethenyl-1,5,12-trimethyl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadec-7-ene-11,13-dione
[3-carboxy-2-[(4E,7E)-3-hydroxynona-4,7-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(5E,7E)-3-hydroxynona-5,7-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(4E,6E)-3-hydroxynona-4,6-dienoyl]oxypropyl]-trimethylazanium
15-deoxy-Delta(12,14)-prostaglandin J3
A prostaglandin J derivative comprising prostaglandin J3 lacking the 15-hydroxy group and having C=C double bonds at the 12- and 14-positions. An intermediate of specialised proresolving mediators
(-)-(4S,5S,10R)-12,18-dihydroxyabieta-8,11,13-trien-20-oic acid-18,20-lactone
An abietane diterpenoid isolated from the stem bark of Fraxinus sieboldiana.
(-)-(4S,5S,7S,10R,20S)-7,12,18-trihydroxyabieta-8,11,13-trien-20-aldehyde 7,18,20-acetal
An abietane diterpenoid isolated from the stem bark of Fraxinus sieboldiana.
2-[[4-(3-Methylanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol
2-[[4-(4-Methylanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol
N-cyclohexyl-1-(4-fluorophenyl)-2,5-dimethyl-3-pyrrolecarboxamide
C19H23FN2O (314.17943199999996)
8-Hydroxy-12-oxoabieta-9(11),13-dien-20-oic 8,20-lactone
An abietane diterpenoid isolated from the stem bark of Fraxinus sieboldiana.
6-De(cyclopropylamino)-6-(2,2-dimethylazetidin-1-yl)abacavir
2-[(3S,6aR,8R,10aR)-3-hydroxy-1-(1-oxopropyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-methylacetamide
(6aR,9S,10aR)-9-(methylsulfanylmethyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline
C19H26N2S (314.18165960000005)
(1S,4S,5R,9R,13R)-5,9-dimethyl-14-methylidene-12-oxotetracyclo[11.2.1.01,10.04,9]hexadec-10-ene-5-carboxylic acid
(1S,2S,3E,7E,11E)-13-Oxocembra-3,7,11,15-tetraen-17,2-olide
(5E,9E,13E)-6-Acetyl-9,13-dimethyl-3-methylene-3,3A,4,7,8,11,14A-octahydro-2H-cyclotrideca(B)furan-2-one
all-trans-4-Oxoretinoic acid
A retinoid that consists of all-trans-retinoic acid bearing an oxo substituent at position 4 on the cyclohexenyl ring. D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids all-trans-4-Oxoretinoic acid, an active metabolite of vitamin A, induces gene transcription via binding to nuclear retinoic acid receptors (RARs).
2-(5-((2Z,5Z,8Z,11Z)-tetradeca-2,5,8,11-tetraen-1-yl)furan-2-yl)-ethanoic acid
9-cis-4-oxoretinoic acid
A retinoid that consists of 9-cis-retinoic acid bearing an oxo substituent at position 4 on the cyclohexenyl ring.