Exact Mass: 314.1702452
Exact Mass Matches: 314.1702452
Found 500 metabolites which its exact mass value is equals to given mass value 314.1702452,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Magnocurarine
Magnocurarine is a member of isoquinolines. Magnocurarine is a natural product found in Lindera megaphylla, Litsea cubeba, and other organisms with data available.
Lotusine
Lotusine is a member of isoquinolines. Lotusine is a natural product found in Nelumbo nucifera, Magnolia officinalis, and Xylopia parviflora with data available. Quaternary alkaloid from the embryo of Nelumbo nucifera (East India lotus). Lotusine is found in coffee and coffee products. Lotusine is found in coffee and coffee products. Quaternary alkaloid from the embryo of Nelumbo nucifera (East India lotus).
Clomipramine
Clomipramine, the 3-chloro analog of imipramine, is a dibenzazepine-derivative tricyclic antidepressant (TCA). TCAs are structurally similar to phenothiazines. They contain a tricyclic ring system with an alkyl amine substituent on the central ring. In non-depressed individuals, clomipramine does not affect mood or arousal, but may cause sedation. In depressed individuals, clomipramine exerts a positive effect on mood. TCAs are potent inhibitors of serotonin and norepinephrine reuptake. Tertiary amine TCAs, such as clomipramine, are more potent inhibitors of serotonin reuptake than secondary amine TCAs, such as nortriptyline and desipramine. TCAs also down-regulate cerebral cortical β-adrenergic receptors and sensitize post-synaptic serotonergic receptors with chronic use. The antidepressant effects of TCAs are thought to be due to an overall increase in serotonergic neurotransmission. TCAs also block histamine-H1 receptors, α1-adrenergic receptors and muscarinic receptors, which accounts for their sedative, hypotensive and anticholinergic effects (e.g. blurred vision, dry mouth, constipation, urinary retention), respectively. See toxicity section below for a complete listing of side effects. Clomipramine may be used to treat obsessive-compulsive disorder and disorders with an obsessive-compulsive component (e.g. depression, schizophrenia, Tourettes disorder). Unlabeled indications include panic disorder, chronic pain (e.g. central pain, idiopathic pain disorder, tension headache, diabetic peripheral neuropathy, neuropathic pain), cataplexy and associated narcolepsy, autistic disorder, trichotillomania, onchophagia, stuttering, premature ejaculation, and premenstrual syndrome. Clomipramine is rapidly absorbed from the gastrointestinal tract and demethylated in the liver to its primary active metabolite, desmethylclomipramine. CONFIDENCE standard compound; INTERNAL_ID 570; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8506; ORIGINAL_PRECURSOR_SCAN_NO 8504 CONFIDENCE standard compound; INTERNAL_ID 570; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8514; ORIGINAL_PRECURSOR_SCAN_NO 8513 CONFIDENCE standard compound; INTERNAL_ID 570; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8510; ORIGINAL_PRECURSOR_SCAN_NO 8508 CONFIDENCE standard compound; INTERNAL_ID 570; 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 8426 CONFIDENCE standard compound; INTERNAL_ID 570; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8459; ORIGINAL_PRECURSOR_SCAN_NO 8457 CONFIDENCE standard compound; INTERNAL_ID 570; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8468; ORIGINAL_PRECURSOR_SCAN_NO 8467 N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AA - Non-selective monoamine reuptake inhibitors D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent > C94727 - Tricyclic Antidepressant D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors CONFIDENCE standard compound; EAWAG_UCHEM_ID 3669 CONFIDENCE standard compound; INTERNAL_ID 1527 D049990 - Membrane Transport Modulators
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
Chalepin
D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins
WIN VI
C18H22N2O3 (314.16303419999997)
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).
dapdiamide B
A member of the family of dapdiamides consisting of alanylisoleucine, in which one of the methyl hydrogens of alanine is replaced by a fumaramoyl group.
dapdiamide C
A member of the family of dapdiamides consisting of alanylleucine, in which one of the methyl hydrogens of alanine is replaced by a fumaramoyl group.
Oblongine
Oblongine is a member of isoquinolines. Oblongine is a natural product found in Stephania cephalantha, Stephania tetrandra, and other organisms with data available. Oblongine is found in fruits. Quaternary alkaloid from stems of Litsea cubeba (mountain pepper). Quaternary alkaloid from stems of Litsea cubeba (mountain pepper). Oblongine is found in fruits.
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.
Homochlorcyclizine
C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist Homochlorcyclizine is a diphenylmethylpiperazine H1-antihistamine.↵
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.
Perilloside A
Constituent of Perilla frutescens (perilla). Perilloside A is found in fats and oils and herbs and spices. Perilloside A is found in fats and oils. Perilloside A is a constituent of Perilla frutescens (perilla).
7-[(6-Hydroxy-3,7-dimethyl-2,7-octadienyl)oxy]-2H-1-benzopyran-2-one
7-[(6-Hydroxy-3,7-dimethyl-2,7-octadienyl)oxy]-2H-1-benzopyran-2-one is found in citrus. 7-[(6-Hydroxy-3,7-dimethyl-2,7-octadienyl)oxy]-2H-1-benzopyran-2-one is isolated from Citrus hassaku juice oil. Isolated from Citrus hassaku juice oil. 7-[(6-Hydroxy-3,7-dimethyl-2,7-octadienyl)oxy]-2H-1-benzopyran-2-one is found in citrus.
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.
(-)-trans-Carveol glucoside
(-)-trans-Carveol glucoside is found in citrus. (-)-trans-Carveol glucoside is a constituent of Citrus species and ginger mint Mentha gentilis cardiaca Constituent of Citrus subspecies and ginger mint Mentha gentilis cardiaca. (-)-trans-Carveol glucoside is found in citrus.
Gibberellin A120
Gibberellin A120 (GA120) belongs to the class of organic compounds known as C19-gibberellin 6-carboxylic acids. These are C19-gibberellins with a carboxyl group at the 6-position. Gibberellin A120 is found in fruits. Gibberellin A120 is a constituent of immature Prunus persica (peach) seeds. Constituent of immature Prunus persica (peach) seeds. Gibberellin A120 is found in fruits and peach.
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.
(+)-trans-Carveol glucoside
(+)-trans-Carveol glucoside is found in citrus. (+)-trans-Carveol glucoside is a constituent of Citrus species Constituent of Citrus subspecies (+)-trans-Carveol glucoside is found in citrus.
Menadiol dibutyrate
Prothrombogenic vitamin. Prothrombogenic vitamin
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.
17-Ethynyl-16-fluoroestradiol
C20H23FO2 (314.16819899999996)
All-trans 4-Keto Retinoic Acid
N-(N-(3-Carboxyoxirane-2-carbonyl)leucyl)isoamylamine
Dehydrocrotonin
Resiquimod
C308 - Immunotherapeutic Agent > C129820 - Antineoplastic Immunomodulating Agent C274 - Antineoplastic Agent
7-Methoxy tropisetron
C18H22N2O3 (314.16303419999997)
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.
7-(5-hydroxy-3,7-dimethylocta-2,6-dienyloxy)-chromen-2-one
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
(E)-6-Hydroxy-7-(3-methyl-2-butenyl)-2-(3-oxobut-1-enyl)chroman-5-carbaldehyde
7-[(3-Methyl-2-butenyl)oxy]-8-(3,3-dimethyloxiranylmethyl)-2H-1-benzopyran-2-one
(+)-7-(3-Methylbut-2-enyloxy)-8-(2-hydroxy-3-methylbut-3-enyl)coumarin
(+)-7-(3-Methylbut-2-enyloxy)-8-(4-hydroxy-3-methylbut-2-enyl)coumarin
2-(2,3-Dihydroxy-3-methylbutyl)-5-(2-phenylethenyl)-1,3-benzenediol
(2R,3R,4S,5S,6R)-2-[(2E)-4-ethenyl-2,5-dimethylhexa-2,5-dienoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
7-[(2E,5E)-7-hydroxy-3,7-dimethylocta-2,5-dienoxy]chromen-2-one
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
8-geranyl-7-hydroxycoumarin|8-geranyloxy-7-hydroxycoumarin
erythro-1-(4-hydroxyphenyl)-2-(2-methoxy-4-(E)-propenylphenoxy)-propan-1-ol|erythro-1-(4-hydroxyphenyl)-2-<2-methoxy-4-(E)-propenylphenoxy>-propan-1-ol
(-)-(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
1-(3,4-Dihydroxyphenyl)-7-(4-hydroxyphenyl)hept-6-en-3-ol
myrtenol 10-O-beta-D-glucopyranoside|myrtenyl 10-O-beta-D-glucopyranoside|myrtenyl O-beta-D-glucopyranoside
(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
5-geranyloxy-7-hydroxycoumarin|5-geranyloxy-7-methoxycoumarin
(+)-(6R,2E)-epoxy-6,7 dimethyl-3,7 octene-2 oxy-7 coumarine|(+)-epoxy-6,7-auraptene|(+/-)-epoxy-6,7 dimethyl-3,7 octene-2 oxy-7 cumarine|(+/-)-epoxyaurapten|(E)-7-<<5-(3,3-dimethyloxiranyl)-3-methyl-2-pentenyl>oxy>-2H-1-benzopyran-2-one|(R)-(+)-aurapten-6,7-epoxyde|(R)-7-[5-(3,3-dimethyloxiranyl)-3-methylpent-2E-enyloxy]chromen-2-one|6,7-Epoxyauraptene|7-(6,7-epoxygeranyloxy)coumarin|7-[5-(3,3-dimethyloxiranyl)-3-methylpent-2E-enyloxy]chromen-2-one|7-{[(E)-5-(3,3-dimethyl-2-oxiranyl)-3-methyl-2-pentenyl]oxy}-2H-chromen-2-one|Epoxyaurapten|epoxyauraptene|geranyl umbelliferone monoepoxide
13-hydroxy-6,8,11,13-podocarpatrien-19-oic acid|inumakiol F
6-(6-hydroxy-3,7-dimethylocta-2,7-dienyl)-7-hydroxycoumarin
limonen-10-ol 10-O-beta-D-glucopyranoside|Limonene-10-ol 10-O-??-D-glucopyranoside
Di-Ac-(Z)-1,9,14-Pentadecatriene-4,6-diyne-3,8-diol
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
5-oxo-6,7-dihydroaureptene|7-(3,7-dimethyl-6-oxo-(2E)-2-octenyloxy)coumarin|7-<3,7-dimethyl-6-oxo-(2E)-2-octenyloxy>coumarin
3-(3,3-dimethylallyl)-marmesin|dl-3-(3,3-dimethylallyl)marmesin
(+-)-Latifolin-dimethylether|(+-)-Latifolindimethylether|2,5-Dihydro-2-methoxy-2,5-di-O-methyl-dalbergion|Latifolin-dimethylether|Latifolindimethylether
2,3-trans-3,4-cis-4,5-cis-5-(4-Hydroxyphenyl)-2-(4-hydroxy-3-methoxyphenyl)-3,4-dimethyltetrahydrofuran
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.
(4E,6Z,12E)-3-O-(3-Methyl-2-butenoyl)-4,6,12-Tetradecatriene-8,10-diyne-1,3,14-triol,
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
p-menth-1(7),4(8)-diene-3-yl beta-D-glucopyranoside
(2R,3R)-2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-5-(3-hydroxypropyl)-3-methylbenzofuran|3-Methoxy-2,3-Dihydro-2-(4-hydroxyphenyl)-5-(e-hydroxypropyl)-3-methylbenzofuran
5alpha-Hydroxy-5,10-dihydroprintziasaeurelacton|5alpha-Methoxy-5,10-dihydroprintzianic acid lactone
13,15-Diacetoxy-pentadecatrien-(2t,8t,10t)-diin-(4,6)|Centaur X(2)|Centaur X2
(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
Neocryptotanshinone
Neocryptotanshinone, a fatty diterpenoids from Salvia Miltiorrhiza, inhibits lipopolysaccharide-induced inflammation by suppression of NF-κB and iNOS signaling pathways[1][2]. Neocryptotanshinone, a fatty diterpenoids from Salvia Miltiorrhiza, inhibits lipopolysaccharide-induced inflammation by suppression of NF-κB and iNOS signaling pathways[1][2].
(-)-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
3,7-dihydroxy-6,8-bis(3-methylbut-2-en-1-yl)-4H-1-benzopyran-4-one|3,7-dihydroxy-6,8-bis(3-methylbut-2-en-1-yl)-4H-chromen-4-one|eryvarin X
N-[(3E)-4-methylhex-3-enoyl]-L-tryptophan|streptomycindole
C18H22N2O3 (314.16303419999997)
(1S*,2S*,3E,7E,12Z)-11-oxocembra-3,7,12(13),15(17)-tetraen-16,2-olide|crassocolide O
4-(4-hydroxy-3-methoxyphenyl)-1-(4-hydroxyphenyl)-2,3-dimethylbutan-1-one
(8R,8S)-7-(3,4-methylenedioxyphenyl)-8,8-dimethyl-7-(3,4-dihydroxyphenyl)-butane
1,5-epoxy-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)heptane
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
3alpha,4alpha,8alpha-trihydroxy-10alpha-methoxy-1alpha,5alpha,7alpha,11-betaH-guaia,6,12-olide
(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
clomipramine
N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AA - Non-selective monoamine reuptake inhibitors D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent > C94727 - Tricyclic Antidepressant D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors D049990 - Membrane Transport Modulators
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
7-carboxy-N-geranyl-L-gluatamic acid
[C15H24NO6]+ (314.16035439999996)
(2R,3R,4S,5S,6R)-2-[(2E)-4-ethenyl-2,5-dimethylhexa-2,5-dienoxy]-6-(hydroxymethyl)oxane-3,4,5-triol_major
Ala Ala Gly Pro
Ala Ala Pro Gly
Ala Gly Ala Pro
Ala Gly Pro Ala
Ala Pro Ala Gly
Ala Pro Gly Ala
Gly Ala Ala Pro
Gly Ala Pro Ala
Gly Pro Ala Ala
Ergoline-1-carboxaldehyde, 8-(hydroxymethyl)-10-methoxy-6-methyl-, (8b)-
C18H22N2O3 (314.16303419999997)
Pro Ala Ala Gly
Pro Ala Gly Ala
Pro Gly Ala Ala
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
(-)-trans-Carveol glucoside
(+)-trans-Carveol glucoside
4-Oxoisotretinoin
D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids
Lotusine
Hypargenin C
Perilloside A
3,4,4-Trihydroxy-5,5-diisopropyl-2,2-dimethylbiphenyl
Oblongine
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)
4-isopropyl-2,5-dioxoimidazolidine-1,3-di(propionohydrazide)
4-Hydroxy-6,7-diisobutoxy-3-quinolinecarbonitrile
C18H22N2O3 (314.16303419999997)
butyl prop-2-enoate,2-methylidenebutanoic acid,2-methylprop-2-enoic acid
Triprolidine hydrochloride
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D018926 - Anti-Allergic Agents
4-[(2R)-2-(Chloromethyl)-3-methylbutyl]-1-methoxy-2-(3-methoxypropoxy)benzene
butyl prop-2-enoate,ethenyl acetate,methyl 2-methylprop-2-enoate
TERT-BUTYL 3-(2-CYANOPROPAN-2-YL)-5-METHOXY-1H-INDOLE-1-CARBOXYLATE
C18H22N2O3 (314.16303419999997)
1-(2-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENOXY)ETHYL)-1H-PYRAZOLE
C17H23BN2O3 (314.18016380000006)
5-METHYL-2-((4-(2-(PYRROLIDIN-1-YL)ETHOXY)PHENYL)AMINO)PYRIMIDIN-4(3H)-ONE
butyl 2-methylprop-2-enoate,methyl 2-methylprop-2-enoate,prop-2-enoic acid
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.
ethane-1,2-diol: hexanedioic acid: 2-(2-hydroxyethoxy)ethanol
1,3-Di(p-tolyl)-1,1,3,3-tetramethyldisiloxane, 94\\%
3-{(3R,4R)-3-[6,7-Dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl(methyl)amino]-4-methyl-1-piperidinyl}-3-oxopropanenitrile
Poly(oxy-1,2-ethanediyl), alpha,alpha-1,6-hexanediylbis(omega-((1-oxo-2-propenyl)oxy)
(2S,5S)-ethyl 1-((S)-2-(methoxycarbonylamino)-3-methylbutanoyl)-5-methylpyrrolidine-2-carboxylate
3-HYDROXY-N-[3-(4-MORPHOLINYL)PROPYL]-2-NAPHTHALENECARBOXAMIDE
C18H22N2O3 (314.16303419999997)
N-(2,6-dimethylphenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine
Ralmitaront
C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent Ralmitaront (RO6889450) is an orally active agonist of trace amine-associated receptor 1 (TAAR1) with a EC50 value of 110.4 nM. Ralmitaront has antipsychotic, cognitively improvement, and antidepressant activity in rodents. Ralmitaront can be used as a neurosuppressant in the study of neuro-related diseases, such as schizophrenia (SCZ), schizoaffective disorder[1][2][3][4].
Ethidium
C21H20N3+ (314.16571400000004)
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent D004396 - Coloring Agents > D005456 - Fluorescent Dyes D004791 - Enzyme Inhibitors
(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.
N~3~-[3-(1h-Indol-6-Yl)benzyl]pyridine-2,3-Diamine
Homochlorcyclizine
C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist
Lotusine
Lotusine is a member of isoquinolines. Lotusine is a natural product found in Nelumbo nucifera, Magnolia officinalis, and Xylopia parviflora with data available.
2-(4-Ethenyl-2,5-dimethylhexa-2,5-dienoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
(3-Hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) acetate
(1S)-1-[(4-hydroxyphenyl)methyl]-7-methoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-8-ol
(2S,3S)-2-{[(2S)-3-{[(2E)-4-amino-4-oxobut-2-enoyl]amino}-2-azaniumylpropanoyl]amino}-3-methylpentanoate
(1R,5R,12R)-5-ethenyl-1,5,12-trimethyl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadec-7-ene-11,13-dione
(2S,3S)-2-[[(2S)-2-amino-3-[[(E)-4-amino-4-oxobut-2-enoyl]amino]propanoyl]amino]-3-methylpentanoic acid
[3-Carboxy-2-[4-(carboxymethyl)-3-methylidenepent-4-enoyl]oxypropyl]-trimethylazanium
C15H24NO6+ (314.16035439999996)
[3-carboxy-2-[(3E,5E)-7-carboxyhepta-3,5-dienoyl]oxypropyl]-trimethylazanium
C15H24NO6+ (314.16035439999996)
[3-carboxy-2-[(2E,6E)-7-carboxyhepta-2,6-dienoyl]oxypropyl]-trimethylazanium
C15H24NO6+ (314.16035439999996)
[3-carboxy-2-[(2E,4E)-7-carboxyhepta-2,4-dienoyl]oxypropyl]-trimethylazanium
C15H24NO6+ (314.16035439999996)
[3-carboxy-2-[(3E,6E)-7-carboxyhepta-3,6-dienoyl]oxypropyl]-trimethylazanium
C15H24NO6+ (314.16035439999996)
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
1-[(4-hydroxyphenyl)methyl]-6-methoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-7-ol
N-cyclohexyl-1-(4-fluorophenyl)-2,5-dimethyl-3-pyrrolecarboxamide
C19H23FN2O (314.17943199999996)
3,7-Dibutyl-3,7-dimethyl-2,6-dihydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole-1,5-dithione
3-[(2-ethyl-1-oxobutyl)amino]-N-(2-furanylmethyl)benzamide
C18H22N2O3 (314.16303419999997)
N-[2-(dimethylamino)ethyl]-2-[3-(4-methylphenyl)-6-oxo-1-pyridazinyl]acetamide
N-[2-(3,4-diethoxyphenyl)ethyl]-2-pyridinecarboxamide
C18H22N2O3 (314.16303419999997)
8-Hydroxy-12-oxoabieta-9(11),13-dien-20-oic 8,20-lactone
An abietane diterpenoid isolated from the stem bark of Fraxinus sieboldiana.
N-(3-fluoro-4-methylphenyl)-1-(2-pyrimidinyl)-3-piperidinecarboxamide
Ala-Gln-Pro
A tripeptide composed of L-alanine, L-glutamine, and L-proline joined in sequence by peptide linkages.
6-De(cyclopropylamino)-6-(2,2-dimethylazetidin-1-yl)abacavir
(5R,8R)-8-methyl-5-(phenylmethyl)-3-oxa-1,6,13,14-tetrazabicyclo[9.3.0]tetradeca-11,13-dien-7-one
1-[(1S,2aR,8bR)-4-acetyl-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-2-cyclopropylethanone
C18H22N2O3 (314.16303419999997)
(4R,7R)-4-methyl-7-(phenylmethyl)-9-oxa-1,6,12,13-tetrazabicyclo[9.2.1]tetradeca-11(14),12-dien-5-one
1-[(1R,2aR,8bR)-4-acetyl-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-2-cyclopropylethanone
C18H22N2O3 (314.16303419999997)
1-[(1R,2aS,8bS)-4-acetyl-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-2-cyclopropylethanone
C18H22N2O3 (314.16303419999997)
1-[(1S,2aS,8bS)-4-acetyl-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-2-cyclopropylethanone
C18H22N2O3 (314.16303419999997)
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)
N-[(1-ethylpyrrolidin-2-yl)methyl]-8-fluoro-5H-pyrimido[5,4-b]indol-3-ium-4-amine
(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
1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane
7-carboxy-N-geranyl-L-gluatamic acid
C15H24NO6+ (314.16035439999996)
(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
2-[(3-Butoxy-2-hydroxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
Resiquimod
C308 - Immunotherapeutic Agent > C129820 - Antineoplastic Immunomodulating Agent C274 - Antineoplastic Agent
dapdiamide C zwitterion
A peptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of dapdiamide C; major species at pH 7.3.
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.
dapdiamide B zwitterion
A peptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of dapdiamide B; major species at pH 7.3.