Exact Mass: 264.18376839999996
Exact Mass Matches: 264.18376839999996
Found 500 metabolites which its exact mass value is equals to given mass value 264.18376839999996,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Sopharanol
C15H24N2O2 (264.18376839999996)
Sophoranol is an alkaloid. Sophoranol is a natural product found in Cuscuta chilensis, Sophora flavescens, and other organisms with data available.
Oxymatrine
C15H24N2O2 (264.18376839999996)
Ammothamnine is an alkaloid and a tertiary amine oxide. Oxymatrine is a natural product found in Sophora pachycarpa, Sophora chrysophylla, and other organisms with data available. D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D000890 - Anti-Infective Agents > D000998 - Antiviral Agents Origin: Plant; SubCategory_DNP: Alkaloids derived from lysine, Quinolizidine alkaloids, Sophora alkaloid Oxymatrine is under investigation in clinical trial NCT02202473 (Oxymatrine Plus Lamivudine Combination Therapy Versus Lamivudine Monotherapy for Chronic Hepatitis B Infected Subjects). Matrine oxide is a natural product found in Daphniphyllum oldhamii, Sophora viciifolia, and other organisms with data available. Oxymatrine, an alkaloid from Sophora flavescens Alt. with anti-inflammatory, antifibrosis, and antitumor effects, inhibits the iNOS expression and TGF-β/Smad pathway. Oxymatrine inhibits bocavirus minute virus of canines (MVC) replication, reduces viral gene expression and decreases apoptosis induced by viral infection. Oxymatrine, an alkaloid from Sophora flavescens Alt. with anti-inflammatory, antifibrosis, and antitumor effects, inhibits the iNOS expression and TGF-β/Smad pathway. Oxymatrine inhibits bocavirus minute virus of canines (MVC) replication, reduces viral gene expression and decreases apoptosis induced by viral infection. Oxysophoridine (Sophoridine N-oxide) is a bioactive alkaloid extracted from the Sophora alopecuroides Linn. Oxysophoridine (Sophoridine N-oxide) shows anti inflammatory, anti oxidative stress and anti apoptosis effects[1][2]. Oxysophoridine (Sophoridine N-oxide) is a bioactive alkaloid extracted from the Sophora alopecuroides Linn. Oxysophoridine (Sophoridine N-oxide) shows anti inflammatory, anti oxidative stress and anti apoptosis effects[1][2].
Tetracaine
C15H24N2O2 (264.18376839999996)
D - Dermatologicals > D04 - Antipruritics, incl. antihistamines, anesthetics, etc. > D04A - Antipruritics, incl. antihistamines, anesthetics, etc. > D04AB - Anesthetics for topical use C - Cardiovascular system > C05 - Vasoprotectives > C05A - Agents for treatment of hemorrhoids and anal fissures for topical use > C05AD - Local anesthetics D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics N - Nervous system > N01 - Anesthetics > N01B - Anesthetics, local > N01BA - Esters of aminobenzoic acid S - Sensory organs > S01 - Ophthalmologicals > S01H - Local anesthetics > S01HA - Local anesthetics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
Subaphylline
Alkaloid from Ananas comosus (pineapple). Subaphylline is found in many foods, some of which are pineapple, sweet orange, corn, and fruits. Subaphylline is found in avocado. Subaphylline is an alkaloid from Ananas comosus (pineapple). CASMI2013 Challenge_2 MS2 data; [MS1] MSJ00003 CASMI2013 Challenge_2 MS1 data; [MS2] MSJ00004
Dehydrojuvabione
FA 17:3
A trienoic fatty acid that is heptadecenoic acid having three double bonds located at postions 8, 11 and 14 (the 8Z,11Z,14Z-geoisomer).
DTXSID60933946
C15H24N2O2 (264.18376839999996)
1,7-Diphenyl-4-hepten-3-one
1,7-Diphenyl-4-hepten-3-one is found in herbs and spices. 1,7-Diphenyl-4-hepten-3-one is isolated from rhizomes of Alpinia officinarum (lesser galangal 1,7-Diphenyl-4-hepten-3-one is a diarylheptanoid. 1,7-Diphenyl-4-hepten-3-one is a natural product found in Alpinia officinarum with data available.
3,5-Bis(1,1-dimethylethyl)-4-hydroxy-benzoic acid ethyl ester
3,5-Bis(1,1-dimethylethyl)-4-hydroxy-benzoic acid ethyl ester belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
Mianserin
Mianserin is only found in individuals that have used or taken this drug. It is a tetracyclic compound with antidepressant effects. Mianserin was previously available internationally, however in most markets it has been phased out in favor of Mirtazapine.Mianserins mechanism of therapeutic action is not well understood, although it apparently blocks alpha-adrenergic, histamine H1, and some types of serotonin receptors. D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants
Phenylalanylvaline
Phenylalanylvaline is a dipeptide composed of phenylalanine and valine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Valylphenylalanine
Valylphenylalanine is a dipeptide composed of valine and phenylalanine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Farnesyl acetate
Farnesyl acetate (CAS: 29548-30-9) is a flavouring compound. Farnesyl acetate has been identified in foods such as blueberries. Flavouring compound [Flavornet]
(E,E)-1,7-Diphenyl-4,6-heptadien-3-ol
(E,E)-1,7-Diphenyl-4,6-heptadien-3-ol is found in beverages. (E,E)-1,7-Diphenyl-4,6-heptadien-3-ol is a constituent of Curcuma xanthorrhiza (Java turmeric). Constituent of Curcuma xanthorrhiza (Java turmeric). (E,E)-1,7-Diphenyl-4,6-heptadien-3-ol is found in herbs and spices, beverages, and root vegetables.
Hexyl glucoside
Constituent of Citrus subspecies and apples (Malus sylvestris). Hexyl glucoside is found in malus (crab apple), pomes, and citrus. Hexyl glucoside is found in citrus. Hexyl glucoside is a constituent of Citrus species and apples (Malus sylvestris)
Shyobunyl acetate
Shyobunyl acetate is found in herbs and spices. Shyobunyl acetate is a constituent of Galbanum absolute Constituent of Galbanum absolute. Shyobunyl acetate is found in herbs and spices.
Vorinostat
Vorinostat (rINN) or suberoylanilide hydroxamic acid (SAHA), is a drug currently under investigation for the treatment of cutaneous T cell lymphoma (CTCL), a type of skin cancer, to be used when the disease persists, gets worse, or comes back during or after treatment with other medicines. It is the first in a new class of agents known as histone deacetylase inhibitors. A recent study suggested that vorinostat also possesses some activity against recurrent glioblastoma multiforme, resulting in a median overall survival of 5.7 months (compared to 4 - 4.4 months in earlier studies). Further brain tumor trials are planned in which vorinostat will be combined with other drugs. [Wikipedia] L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01X - Other antineoplastic agents > L01XH - Histone deacetylase (hdac) inhibitors D004791 - Enzyme Inhibitors > D056572 - Histone Deacetylase Inhibitors C471 - Enzyme Inhibitor > C1946 - Histone Deacetylase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent D000970 - Antineoplastic Agents
12-Oxo-2,3-dinor-10,15-phytodienoic acid
12-Oxo-2,3-dinor-10,15-phytodienoic acid is found in alcoholic beverages. 12-Oxo-2,3-dinor-10,15-phytodienoic acid is isolated from potato (Solanum tuberosum Isolated from potato (Solanum tuberosum). 12-Oxo-2,3-dinor-10,15-phytodienoic acid is found in alcoholic beverages and potato.
Nerolidyl acetate
(S)-Nerolidyl acetate is found in herbs and spices. (S)-Nerolidyl acetate is found in clary sage oil. Found in clary sage oil
Cedryl acetate
Cedryl acetate is a flavouring ingredien Flavouring ingredient Cedryl acetate is a tricyclic sesquiterpene isolated from the plant Cunninghamia lanceolata. Cedryl acetate shows α-glucosidase inhibitory activity[1]. Cedryl acetate is a tricyclic sesquiterpene isolated from the plant Cunninghamia lanceolata. Cedryl acetate shows α-glucosidase inhibitory activity[1].
Guaiol acetate
Guaiol acetate is a flavouring ingredient with a sweet taste suggestive of currant. Flavouring ingredient with a sweet taste suggestive of currant
alpha-Caryophyllene alcohol acetate
alpha-Caryophyllene alcohol acetate is a flavouring ingredient. Flavouring ingredient
beta-Caryophyllene alcohol acetate
beta-Caryophyllene alcohol acetate is a flavouring ingredient. Not reported in nature. Flavouring ingredient. Not reported in nature
Matrine 1beta-oxide
C15H24N2O2 (264.18376839999996)
5-(Cycloocten-1-yl)-5-ethyl-barbituric acid
Propacetamol
N - Nervous system > N02 - Analgesics > N02B - Other analgesics and antipyretics > N02BE - Anilides C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
cis-trans-Farnesyl acetate
Cis-trans-farnesyl acetate is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. Cis-trans-farnesyl acetate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Cis-trans-farnesyl acetate can be found in linden, which makes cis-trans-farnesyl acetate a potential biomarker for the consumption of this food product.
Elemol acetate
Elemol acetate, also known as elemol acetic acid, is a member of the class of compounds known as monocyclic monoterpenoids. Monocyclic monoterpenoids are monoterpenoids containing 1 ring in the isoprene chain. Elemol acetate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Elemol acetate can be found in common grape, which makes elemol acetate a potential biomarker for the consumption of this food product.
3,7,11-Trimethyldodeca-2,6,10-trienyl acetate
3,7,11-trimethyldodeca-2,6,10-trienyl acetate, also known as farnesylacetic acid, is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. 3,7,11-trimethyldodeca-2,6,10-trienyl acetate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 3,7,11-trimethyldodeca-2,6,10-trienyl acetate is a floral, green, and rose tasting compound found in highbush blueberry, which makes 3,7,11-trimethyldodeca-2,6,10-trienyl acetate a potential biomarker for the consumption of this food product.
Cyclopentenyl propionate musk
Flavouring compound [Superscent]
[S-[R*,S*-(E)]]-2-Methyl-6-(4-methyl-2-oxo-3-cyclohexen-1-yl)-2-heptenoic acid methyl ester
Quadrangulin A
(-)-13alpha-Hydroxy-4-oxosparteine
C15H24N2O2 (264.18376839999996)
[4S-(4alpha,4aalpha,5alpha,8aalpha)]-4,5,6,7,8,9-Hexahydro-4-methoxy-3,4a,5-trimethyl-naphtho[2,3-b]furan-8a(4aH)-ol
1-Naphthaleneacetic-7-oxo-1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl acid
(7E,9Z,12Z)-6-hydroxyhexadeca-7,9,12,15-tetraenoic acid
4-(5-Hydroxy-4,7,8-trimethyl-3,8-nonadienyl)-2(5H)furanone|8-hydroxy-3,7,10,11-tetramethyl-2Z,6E,11-dodecatrien-13,1-olide
2-[(2E)-7-hydroxy-3,7-dimethyloct-2-enyl]benzene-1,4-diol
(E)-10-Heptadecen-8-ynoic acid|pyrulic acid|trans-Heptadec-10-en-8-insaeure|trans-Heptadecen-(10)-in-(8)-saeure, Pyrulsaeure
4-(5-Hydroxy-4,8-dimethyl-7-methylene-3-noneyl)-2(5H)furanone|8-hydroxy-3,7-dimethyl-10-isopropyl-2Z,6E,10-undecatrien-12,1-olide
2,3,3a,4,5,6,6a,7,7a,8,9,10,11,11a,11b,11c-Hexadecahydro-2-hydroxy-3a,7a-diaza-1H-benzo[de]anthracene-8-one
C15H24N2O2 (264.18376839999996)
2,4-tridecadiynyl methoxyacetate|Methoxyacetate-2,4-Tridecadiyn-1-ol
(delta-Phenyl-butyl)-styryl-keton|(E)-1,7-diphenylhept-1-en-3-one|1,7-diphenyl-4E-hepten-3-one|1,7-Diphenyl-hept-1-en-3-on|1,7-diphenyl-hept-1-en-3-one|gamma-Oxo-alpha.eta-diphenyl-alpha-heptylen
(7S)-11xi-Hydroxy-(7at,14at)-dodecahydro-7r,14c-methano-dipyrido[1,2-a;1,2-e][1,5]diazocin-6-on|(7S)-11xi-hydroxy-(7at,14at)-dodecahydro-7r,14c-methano-dipyrido[1,2-a;1,2-e][1,5]diazocin-6-one
C15H24N2O2 (264.18376839999996)
trans-1R, 4R-hydroxy-alpha-ionylideneacetic acid methyl ester
2-(4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl)propan-2-yl acetate
(2R*,3aS*,7aR*)-2-(2-hydroxypropan-2-yl)-6-(3-methylbut-2-enyl)-2,3,3a,4-tetrahydrobenzofuran-5(7aH)-one|pestalotheol H
Me ester-6beta-6-Hydroxy-4,11(13)-eudesmadien-12-oic acid|methyl-6beta-hydroxyisocostoate
(2beta)-2-deoxo-2-methoxytessaric acid|(2R,6R,8S,8aR)-1,2,3,4,6,7,8,8a-octahydro-6-methoxy-8,8a-dimethyl-alpha-methylenenaphthalene-2-acetic acid
(3beta,10beta)-3-methoxyeudesma-4,11(13)-dien-12-oic acid|rel-(2R,4aR,7S)-1,2,3,4,4a,6,7-octahydro-7-methoxy-4a,8-dimethyl-alpha-methylenenaphthalene-2-acetic acid
methyl 2alpha-hydroxy-3,4-dehydro-4,15-dihydrocostate
12-Demethylmulticaulin
A diterpenoid that is multicaulin in which the methoxy group at position 12 is replaced by a hydroxy group. A norabietane derivative, it is isolated from the roots of Salvia multicaulis and exhibits antitubercular activity.
Pentifylline
C - Cardiovascular system > C04 - Peripheral vasodilators > C04A - Peripheral vasodilators > C04AD - Purine derivatives C78275 - Agent Affecting Blood or Body Fluid > C1327 - Antiplatelet Agent C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor
2beta-(1-Methoxycarbonyl-ethyl)-4beta-isopropenyl-5beta-methyl-5alpha-vinyl-cyclohexanon|2beta-<1-Methoxycarbonyl-ethyl>-4beta-isopropenyl-5beta-methyl-5alpha-vinyl-cyclohexanon
3-hydroxy-heptadeca-8Z,15E-dien-11,13-diyne-1-oic acid methyl ester
scleropyric acid
A straight-chain fatty acid that is heptadecanoic acid with a terminal double bond and a triple bond at position 12. Isolated from the twigs of Scleropyrum wallichianum, it exhibits antimycobacterial and antiplasmodial activities.
(+)-(5S)-3-(12-dodecen-1-yl)-5-methyl-2(5H)-furanone|(5S)-3-(11-dodecenyl)-5-methylfuran-2(5H)-one
12-hydroxy-5beta-methoxy-6(14)-dehydro-5,6-dihydrocaryophyllen-7-one
2,5-dimethyl-3-isopentyl-6-( 1-hydroxyisopentyl)pyrazine
flavalin C
A sesquiterpenoid of the class of nardosinane-type terpenoids isolated from the Formosan soft coral Lemnalia flava.
(7S)-2c-methoxy-(7ac,14at)-dodecahydro-7r,14c-methano-dipyrido[1,2-a;1,2-e][1,5]diazocine|13-Epimethoxy-lupanin|13beta-methoxy-sparteine
3,4,6,6a,7,8,9,10,12,13-decahydro-2H,5H-6,13-methano-dipyrido[1,2-a;3,2-e]azocine-1,5-diol|Nitraramin-N-oxid|nitraramine N-oxide
C15H24N2O2 (264.18376839999996)
(+)-albicanyl acetate|(1S,4aS,8aS)-decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenemethanol acetate|(8aS)-(+)-albicanyl acetate|albicanyl acetate
3-Isobutyryl-6,7-dihydro-2-isopropylpyrazolo[1,5-a]pyridine-6,7-diol
Farnesyl acetate
(2Z,6Z)-Farnesyl acetate is a natural product found in Carapichea ipecacuanha with data available.
Sophocarpine Monohydrate
C15H24N2O2 (264.18376839999996)
13β-Hydroxylupanine
C15H24N2O2 (264.18376839999996)
13beta-Hydroxylupanine is a natural product found in Lupinus polyphyllus with data available.
9α-Hydroxymatrine
C15H24N2O2 (264.18376839999996)
9alpha-Hydroxymatrine is a natural product found in Sophora viciifolia, Sophora davidii, and other organisms with data available.
Cedrol acetate
Cedryl acetate is a cedrane sesquiterpenoid. Cedranyl acetate is a natural product found in Artemisia argyi, Artemisia annua, and Chamaemelum nobile with data available. Cedryl acetate is a tricyclic sesquiterpene isolated from the plant Cunninghamia lanceolata. Cedryl acetate shows α-glucosidase inhibitory activity[1]. Cedryl acetate is a tricyclic sesquiterpene isolated from the plant Cunninghamia lanceolata. Cedryl acetate shows α-glucosidase inhibitory activity[1].
Mianserin
D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants CONFIDENCE standard compound; EAWAG_UCHEM_ID 3274
tetracaine
C15H24N2O2 (264.18376839999996)
D - Dermatologicals > D04 - Antipruritics, incl. antihistamines, anesthetics, etc. > D04A - Antipruritics, incl. antihistamines, anesthetics, etc. > D04AB - Anesthetics for topical use C - Cardiovascular system > C05 - Vasoprotectives > C05A - Agents for treatment of hemorrhoids and anal fissures for topical use > C05AD - Local anesthetics D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics N - Nervous system > N01 - Anesthetics > N01B - Anesthetics, local > N01BA - Esters of aminobenzoic acid S - Sensory organs > S01 - Ophthalmologicals > S01H - Local anesthetics > S01HA - Local anesthetics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent CONFIDENCE standard compound; INTERNAL_ID 2722
2-[(2-amino-3-methylbutanoyl)amino]-3-phenylpropanoic acid
(2R,3R,4S,5S,6R)-2-hexoxy-6-(hydroxymethyl)oxane-3,4,5-triol
Tetracain
C15H24N2O2 (264.18376839999996)
D - Dermatologicals > D04 - Antipruritics, incl. antihistamines, anesthetics, etc. > D04A - Antipruritics, incl. antihistamines, anesthetics, etc. > D04AB - Anesthetics for topical use C - Cardiovascular system > C05 - Vasoprotectives > C05A - Agents for treatment of hemorrhoids and anal fissures for topical use > C05AD - Local anesthetics D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics N - Nervous system > N01 - Anesthetics > N01B - Anesthetics, local > N01BA - Esters of aminobenzoic acid S - Sensory organs > S01 - Ophthalmologicals > S01H - Local anesthetics > S01HA - Local anesthetics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent CONFIDENCE standard compound; INTERNAL_ID 8620
LID_265.1546_9.2
CONFIDENCE Tentative identification: most likely structure (Level 3); INTERNAL_ID 803 INTERNAL_ID 803; CONFIDENCE Tentative identification: most likely structure (Level 3)
C16H24O3_Propanoic acid, 3-hydroxy-2-[(4aR,8aS)-octahydro-4a-methyl-8-methylene-2(1H)-naphthalenylidene]-, methyl ester, (2E)
(4R)-3-methylidene-4-[(E)-3-methyl-4-(4-methyl-5-oxooxolan-2-yl)but-2-enyl]oxolan-2-one
(3aR,4R,5aS,6S,9aR,9bS)-4,6-dihydroxy-5a,9-dimethyl-3-methylidene-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one
5,10,15-trimethyl-4,9,13-trioxatetracyclo[10.3.0.0³,⁵.0⁸,¹⁰]pentadec-1(15)-en-14-one
13a-Hydroxylupanin
C15H24N2O2 (264.18376839999996)
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 57 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 43 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 36 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 28 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 21 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 13 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 6
1alpha-Hydroxy-1-desoxotamirin
Origin: Plant; SubCategory_DNP: Sesquiterpenoids
(3aR,6R,7aR)-6-methyl-3-methylidene-6-(4-oxopentyl)-3a,4,7,7a-tetrahydro-1-benzofuran-2,5-dione [IIN-based on: CCMSLIB00000847575]
(3aR,6R,7aR)-6-methyl-3-methylidene-6-(4-oxopentyl)-3a,4,7,7a-tetrahydro-1-benzofuran-2,5-dione [IIN-based: Match]
Hulupinic acid
[Raw Data] CBA94_Hulupinic-acid_neg_50eV.txt [Raw Data] CBA94_Hulupinic-acid_neg_40eV.txt [Raw Data] CBA94_Hulupinic-acid_neg_30eV.txt [Raw Data] CBA94_Hulupinic-acid_neg_20eV.txt [Raw Data] CBA94_Hulupinic-acid_neg_10eV.txt [Raw Data] CBA94_Hulupinic-acid_pos_50eV.txt [Raw Data] CBA94_Hulupinic-acid_pos_40eV.txt [Raw Data] CBA94_Hulupinic-acid_pos_30eV.txt [Raw Data] CBA94_Hulupinic-acid_pos_20eV.txt [Raw Data] CBA94_Hulupinic-acid_pos_10eV.txt
5,10,15-trimethyl-4,9,13-trioxatetracyclo[10.3.0.0³,⁵.0⁸,¹⁰]pentadec-1(15)-en-14-one_major
(5E)-4,9-dihydroxy-6-methyl-3,10-dimethylidene-4,7,8,9,11,11a-hexahydro-3aH-cyclodeca[b]furan-2-one_major
(6Z,10E)-4-hydroxy-6-(hydroxymethyl)-10-methyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one_major
(6Z,10E)-4-hydroxy-6-(hydroxymethyl)-10-methyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one_minor
Vorinostat
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01X - Other antineoplastic agents > L01XH - Histone deacetylase (hdac) inhibitors D004791 - Enzyme Inhibitors > D056572 - Histone Deacetylase Inhibitors C471 - Enzyme Inhibitor > C1946 - Histone Deacetylase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent D000970 - Antineoplastic Agents
2H-Indol-2-one, 1,3-dihydro-4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-
Dormin
D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids D006133 - Growth Substances > D010937 - Plant Growth Regulators (±)-Abscisic acid is an orally active plant hormone that is present also in animals. (±)-Abscisic acid (ABA) contributes to the regulation of glycemia in mammals[1]. (±)-Abscisic acid is an orally active plant hormone that is present also in animals. (±)-Abscisic acid (ABA) contributes to the regulation of glycemia in mammals[1]. Abscisic acid ((S)-(+)-Abscisic acid), an orally active phytohormone in fruits and vegetables, is an endogenously produced mammalian hormone. Abscisic acid is a growth inhibitor and can regulate many aspects of plant growth and development. Abscisic acid inhibits proton pump (H+-ATPase) and leads to the plasma membrane depolarization in a Ca2+-dependent manner. Abscisic acid, a LANCL2 natural ligand, is a potent insulin-sensitizing compound and has the potential for pre-diabetes, type 2 diabetes and metabolic syndrome[1][2]. Abscisic acid ((S)-(+)-Abscisic acid), an orally active phytohormone in fruits and vegetables, is an endogenously produced mammalian hormone. Abscisic acid is a growth inhibitor and can regulate many aspects of plant growth and development. Abscisic acid inhibits proton pump (H+-ATPase) and leads to the plasma membrane depolarization in a Ca2+-dependent manner. Abscisic acid, a LANCL2 natural ligand, is a potent insulin-sensitizing compound and has the potential for pre-diabetes, type 2 diabetes and metabolic syndrome[1][2].
Cedryl acetate
Cedryl acetate is a tricyclic sesquiterpene isolated from the plant Cunninghamia lanceolata. Cedryl acetate shows α-glucosidase inhibitory activity[1]. Cedryl acetate is a tricyclic sesquiterpene isolated from the plant Cunninghamia lanceolata. Cedryl acetate shows α-glucosidase inhibitory activity[1].
Phe-Val
A dipeptide formed from L-phenylalanine and L-valine residues.
Val-phe
A dipeptide formed from L-valine and L-phenylalanine residues.
Tanacetin
Pterosin L
O-Formyloreadone
(1beta,8beta)-1,8-Dihydroxy-3,7(11)-eudesmadien-12,8-olide
3-Epiarmefolin
Alhanin
Tabulin
Taridin b
Istanbulin A
Guaiac acetate
Umbellifolide
(8betaOH,10beta)-8-Hydroxy-3-oxo-7(11)-eremophilen-12,8-olide
2-(2-Methylpropanoyl)-4-prenylphloroglucinol
1a,5,7a-Trimethyl-2,2a,6,6a,7a,8,9,9a-octahydrobisoxireno[4,5:8,9]cyclodeca[1,2-b]furan-4(1aH)-one
(R)-2-trans-abscisic acid
Graphilane
n-hydroxy-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimidamide
tert-Butyl 2-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazin-8-ylcarbamate
1-[2-AMINO-1-(2-METHOXY-PHENYL)-ETHYL]-PYRROLIDINE-3-CARBOXYLICACID
4-Boc-7-Hydroxy-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine
(s)-6-methoxy-2,5,7,8-tetramethylchromane-2-carboxylic acid
4-(5,5-DIMETHYL-[1,3,2]DIOXABORINAN-2-YL)-1-(TETRAHYDROPYRAN-2-YL)-1H-PYRAZOLE
2-(3,4-Dimethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
N,N-dibutyl-3-methyl-4-nitroaniline
C15H24N2O2 (264.18376839999996)
2-(2-BENZYLOXY-ETHYL)-3-OXO-BUTYRIC ACID ETHYL ESTER
3-[2-[Tert-butyl(dimethyl)silyl]oxyethyl]benzaldehyde
tert-butyl N-(5-methoxy-4-prop-2-enylpyridin-3-yl)carbamate
4,5-dihydro-1-phenyl-3-(2,4,6-trimethylphenyl)-1H-pyrazole
1-(oxolan-3-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
TERT-BUTYL 5-METHOXY-3,4-DIHYDRO-1,7-NAPHTHYRIDINE-1(2H)-CARBOXYLATE
1-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOL-1-YL]-2-BUTANONE
TERT-BUTYL 6-METHOXY-3,4-DIHYDROQUINOXALINE-1(2H)-CARBOXYLATE
tert-Butyl (2-(piperidin-4-yl)ethyl)carbamate hydrochloride
2-(2,6-dimethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Nonoxinol
D009676 - Noxae > D000988 - Antispermatogenic Agents > D013089 - Spermatocidal Agents D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents D013501 - Surface-Active Agents > D011092 - Polyethylene Glycols D001697 - Biomedical and Dental Materials
1-N-Benzyl-1-N-methyl-2-Boc-ethane-1,2-diamine
C15H24N2O2 (264.18376839999996)
6-METHOXY-2,5,7,8-TETRAMETHYL-CHROMAN-2-CARBOXYLIC ACID
4,4,5,5-Tetramethyl-2-(3,3,5,5-tetramethylcyclohex-1-en-1-yl)-1,3,2-dioxaborolane
3-(2-piperidin-1-ium-4-ylethyl)-1H-indole,chloride
[2-(1 H-INDOL-3-YL)-ETHYL]-(2-METHYL-BENZYL)-AMINE
2-(3,3-DIMETHYLBICYCLO[2.2.1]HEPT-2-YLMETHYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
2-[4-(1,1-DIMETHYLETHYL)-1-CYCLOHEXEN-1-YL]-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
(R)-tert-Butyl 2-propylpiperazine-1-carboxylate hydrochloride
(4-methoxy-benzyl)-(3-morpholin-4-yl-propyl)-amine
C15H24N2O2 (264.18376839999996)
2-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenemethanol
1-ISOPENTYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE
1-(3-Methylbutyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
2-(Nonylphenoxy)ethanol
D013501 - Surface-Active Agents > D003902 - Detergents
tert-butyl N-[(4-aminocyclohexyl)methyl]carbamate,hydrochloride
(R)-TERT-BUTYL (1-AMINO-1-OXO-3-PHENYLPROPAN-2-YL)CARBAMATE
3,6,9-triethyl-3,6,9-trimethyl-1,4,7-triperoxynonane
[2-(1 h-indol-3-yl)-ethyl]-(3-methyl-benzyl)-amine
2-(4-MORPHOLINYL)-PYRIDINE-4-CARBOXYLIC ACID TERT-BUTYL ESTER
4-[4-(1-aminoethyl)-2-cyclopropylpyrimidin-5-yl]benzonitrile
N,N-Dipropyl-2-methyl-3-nitrophenylethanamine
C15H24N2O2 (264.18376839999996)
1-(2,6-Dimethoxybenzyl)-N-methyl-4-piperidinamine
C15H24N2O2 (264.18376839999996)
(2R)-3-Carboxy-2-(3-hydroxy-3-methyl-1-oxobutoxy)-N,N-dimethyl-N-(methyl-d3)-1-propanaminium inner salt
N,N-Bis(methoxymethyl)diaza-12-crown-4
C12H28N2O4 (264.20489680000003)
(S,E,E)-5-Isopropyl-8-methyl-3,8-tridecadien-2,12-dione
4-(2-(4-methylpiperazin-1-yl)ethoxy)phenylboronic acid
Carbamic acid, N-[[4-[(hydroxyimino)methyl]phenyl]methyl]-N-methyl-, 1,1-dimethylethyl ester
4-((4-(2-hydroxyethyl)piperazin-1-yl)Methyl)phenylboronic acid
TRANS-4-(BOC-AMINO)-CYCLOHEXANEMETHANAMINE HYDROCHLORIDE
(4S,4S)-2,2-Cyclopropylidenebis[4,5-dihydro-4-isopropyloxazole],99\\%e.e.
C15H24N2O2 (264.18376839999996)
tert-butyl 2-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carboxylate
(2-methoxy-benzyl)-(3-morpholin-4-yl-propyl)-amine
C15H24N2O2 (264.18376839999996)
(S)-TERT-BUTYL 3-((DIMETHYLAMINO)METHYL)PYRROLIDINE-1-CARBOXYLATE HYDROCHLORIDE
(3-(2-(4-Methylpiperazin-1-yl)ethoxy)phenyl)boronic acid
(S)-BENZYL (1-AMINO-4-METHYL-1-OXOPENTAN-2-YL)CARBAMATE
1-(2-METHYLBUTYL)-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE
(3-AMINO-4-TERT-BUTYL-PHENYL)-CARBAMIC ACID TERT-BUTYL ESTER
C15H24N2O2 (264.18376839999996)
2-(3,5-Dimethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
N-[3-(dipropylamino)-4-methoxyphenyl]acetamide
C15H24N2O2 (264.18376839999996)
2-[4-(methoxymethoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
tert-Butyl (2-(4-aminophenyl)-2-methylpropyl)carbamate
C15H24N2O2 (264.18376839999996)
2-(4-AMINO-1-(3-METHOXYPHENYL)PIPERIDIN-4-YL)ACETIC ACID
2-(4-AMINO-1-(4-METHOXYPHENYL)PIPERIDIN-4-YL)ACETIC ACID
4-ETHYLAMINO-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER-HCl
tert-butyl 3-propan-2-ylpiperazine-1-carboxylate,hydrochloride
tert-butyl 3-propylpiperazine-1-carboxylate,hydrochloride
5-((2-(6-Amino-9H-purin-9-yl)ethyl)amino)pentan-1-ol
D004791 - Enzyme Inhibitors > D000067956 - Adenylyl Cyclase Inhibitors
Vabicaserin hydrochloride
C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist Vabicaserin hydrochloride is a 5-hydroxytryptamine 2C (5-HT2C) receptor-selective agonist with an EC50 of 8 nM.
17-Hydroxylupanine
C15H24N2O2 (264.18376839999996)
A quinolizidine alkaloid that is lupanine bearing a hydroxy substituent at position 17.
[4-ethenyl-2,2,4-trimethyl-3-(prop-1-en-2-yl)cyclohexyl]methyl acetate
2-Amino-6-methyl-4-(3-pyridinyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
2-(2-amino-3-phenylpropanamido)-3-methylbutanoic acid
4-[[Diethylamino(oxo)methyl]amino]benzoic acid ethyl ester
ethyl (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoate
2-(2-Hydroxyethyl)-6-methoxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran
2-Hexyloxy-6-hydroxymethyl-tetrahydro-pyran-3,4,5-triol
Propacetamol
N - Nervous system > N02 - Analgesics > N02B - Other analgesics and antipyretics > N02BE - Anilides C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
Matrine 1beta-oxide
C15H24N2O2 (264.18376839999996)
Oxysophoridine (Sophoridine N-oxide) is a bioactive alkaloid extracted from the Sophora alopecuroides Linn. Oxysophoridine (Sophoridine N-oxide) shows anti inflammatory, anti oxidative stress and anti apoptosis effects[1][2]. Oxysophoridine (Sophoridine N-oxide) is a bioactive alkaloid extracted from the Sophora alopecuroides Linn. Oxysophoridine (Sophoridine N-oxide) shows anti inflammatory, anti oxidative stress and anti apoptosis effects[1][2].
1-Cyclohexene-1-carboxylic acid, 4-(1,5-dimethyl-3-oxo-4-hexenyl)-, methyl ester
4-Oxo-5S-(2Z)-2-penten-1-yl-2-cyclopentene-1S-hexanoic acid
(12R)-12-hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
C15H24N2O2 (264.18376839999996)
Guaiol acetate
methyl (2E)-2-[(4aR,8aS)-4a-methyl-8-methylidene-3,4,5,6,7,8a-hexahydro-1H-naphthalen-2-ylidene]-3-hydroxypropanoate
Flavalin D
A sesquiterpenoid of the class of nardosinane-type terpenoids isolated from the Formosan soft coral Lemnalia flava.
2-amino-4-pyridin-4-yl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
(3Z)-dodec-3-en-1-yl hydrogen sulfate
A sulfuric ester obtained by the formal condensation of (3Z)-dodec-3-en-1-ol with sulfuric acid.
N-[(2-ethoxyphenyl)methyl]-2-(4-morpholinyl)ethanamine
C15H24N2O2 (264.18376839999996)
4-[2-Hydroxy-3-(propan-2-ylamino)propoxy]-1,3-dihydroindol-2-one
(1R,5S)-7-[4-(3-methylphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane
(R,R)-tramadol(1+)
An organic cation obtained by protonation of the tertiary amino group of (R,R)-tramadol.
[(2S)-3-carboxy-2-(1,3-dihydroxypentoxy)propyl]-trimethylazanium
[(2R,5S,7R,8R)-2,6,6,8-tetramethyl-8-tricyclo[5.3.1.01,5]undecanyl] acetate
(1S,2R,9R,13R,17R)-13-oxido-7-aza-13-azoniatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one
C15H24N2O2 (264.18376839999996)
ethyl (2E,6Z)-3,7,11-trimethyl-2,6,10-dodecatrienoate
Xylopyranose, 2,3,4-tri-O-methyl-1-O-(trimethylsilyl)-
1-(4-Methoxyphenyl)piperazine, 4-trimethylsilyl-
C14H24N2OSi (264.16578139999996)
Trimethylsilyl 2-(2-(2-ethoxyethoxy)ethoxy)acetate
Trimethyl[4-(2-methyl-4-oxo-2-pentyl)phenoxy]silane
(5S,8AS)-(-)-5alpha-Allyl-5beta,8abeta-dimethyl-3,4,4A,5,6,7,8,8A-octahydronaphthalen-1(2H)-one ethylene acetal
Sophoranol
C15H24N2O2 (264.18376839999996)
Sophoranol is an alkaloid. Sophoranol is a natural product found in Cuscuta chilensis, Sophora flavescens, and other organisms with data available.
streptidine(2+)
A guanidinium ion obtained by protonation of both guanidino groups of streptidine; major species at pH 7.3.
all-trans-7-hydroxyhexadeca-2,4,8,10-tetraenoic acid
A polyunsaturated fatty acid that is hexadeca-2,4,8,10-tetraenoic acid substituted by a hydroxy group at position 7. All 4 double bonds have E- (trans-) geometry.
Sophocarpine (monohydrate)
C15H24N2O2 (264.18376839999996)
Sophocarpine (monohydrate) is one of the significant alkaloid extracted from the traditional herb medicine Sophora flavescens which has many pharmacological properties such as anti-virus, anti-tumor, anti-inflammatory. Sophocarpine (monohydrate) significantly inhibits the growth of gastric cancer (GC) cells through multiple mechanisms such as induction of autophagy, activation of cell apoptosis and down-regulation of cell survival PI3K/AKT signaling pathway. Sophocarpine (monohydrate) has been demonstrated to have anti-tumor activity in various cancer cells, including hepatocellular carcinoma, prostate cancer and colorectal cancer[1]. Sophocarpine (monohydrate) is one of the significant alkaloid extracted from the traditional herb medicine Sophora flavescens which has many pharmacological properties such as anti-virus, anti-tumor, anti-inflammatory. Sophocarpine (monohydrate) significantly inhibits the growth of gastric cancer (GC) cells through multiple mechanisms such as induction of autophagy, activation of cell apoptosis and down-regulation of cell survival PI3K/AKT signaling pathway. Sophocarpine (monohydrate) has been demonstrated to have anti-tumor activity in various cancer cells, including hepatocellular carcinoma, prostate cancer and colorectal cancer[1]. Sophocarpine (monohydrate) is one of the significant alkaloid extracted from the traditional herb medicine Sophora flavescens which has many pharmacological properties such as anti-virus, anti-tumor, anti-inflammatory. Sophocarpine (monohydrate) significantly inhibits the growth of gastric cancer (GC) cells through multiple mechanisms such as induction of autophagy, activation of cell apoptosis and down-regulation of cell survival PI3K/AKT signaling pathway. Sophocarpine (monohydrate) has been demonstrated to have anti-tumor activity in various cancer cells, including hepatocellular carcinoma, prostate cancer and colorectal cancer[1].