Exact Mass: 312.1779942

Exact Mass Matches: 312.1779942

Found 205 metabolites which its exact mass value is equals to given mass value 312.1779942, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Yakuchinone-A

3-Heptanone, 1-(4-hydroxy-3-methoxyphenyl)-7-phenyl-

C20H24O3 (312.1725354)


1-(4-hydroxy-3-methoxyphenyl)-7-phenyl-3-heptanone is a ketone that is heptan-3-one substituted by a 4-hydroxy-3-methoxyphenyl group at position 1 and a phenyl group at position 7. Isolated from in Alpinia oxyphylla, it exhibits antineoplastic and inhibitory activities against COX-1, COX-2 and NO synthase. It has a role as a metabolite, a cyclooxygenase 1 inhibitor, a cyclooxygenase 2 inhibitor, an EC 1.14.13.39 (nitric oxide synthase) inhibitor and an antineoplastic agent. It is a monomethoxybenzene, a member of phenols and a ketone. Yakuchinone-A is a natural product found in Alpinia oxyphylla with data available. Yakuchinone A is a natural product isolated from the fruit of Alpinia oxyphylla, which can induce apoptosis and has anticancer and anti-inflammatory activities[1]. Yakuchinone A is a natural product isolated from the fruit of Alpinia oxyphylla, which can induce apoptosis and has anticancer and anti-inflammatory activities[1].

   

Praziquantel

2-cyclohexanecarbonyl-1H,2H,3H,4H,6H,7H,11bH-piperazino[2,1-a]isoquinolin-4-one

C19H24N2O2 (312.18376839999996)


Praziquantel is only found in individuals that have used or taken this drug. It is an anthelmintic used in most schistosome and many cestode infestations. [PubChem]Praziquantel works by causing severe spasms and paralysis of the worms muscles. This paralysis is accompanied - and probably caused - by a rapid Ca 2+ influx inside the schistosome. Morphological alterations are another early effect of praziquantel. These morphological alterations are accompanied by an increased exposure of schistosome antigens at the parasite surface. The worms are then either completely destroyed in the intestine or passed in the stool. An interesting quirk of praziquantel is that it is relatively ineffective against juvenile schistosomes. While initially effective, effectiveness against schistosomes decreases until it reaches a minimum at 3-4 weeks. Effectiveness then increases again until it is once again fully effective at 6-7 weeks. Glutathione S-transferase (GST), an essential detoxification enzyme in parasitic helminths, is a major vaccine target and a drug target against schistosomiasis. Schistosome calcium ion channels are currently the only known target of praziquantel. P - Antiparasitic products, insecticides and repellents > P02 - Anthelmintics > P02B - Antitrematodals > P02BA - Quinoline derivatives and related substances D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent

   
   

Broussonin C

5-[3-[4-Hydroxy-3-(3-methylbut-2-enyl)phenyl]propyl]benzene-1,3-diol

C20H24O3 (312.1725354)


   

Centrolobine

d-Centrolobine

C20H24O3 (312.1725354)


   

norajmaline

norajmaline

C19H24N2O2 (312.18376839999996)


An organonitrogen heterocyclic compound that is ajmaline which is lacking the methyl substituent attached to the nitrogen of the dihydroindole moiety.

   

(±)-2,4,6-Triphenyl-1-hexene

(3,5-diphenylhex-5-en-1-yl)benzene

C24H24 (312.1877904)


Styrene trimer. Present as an impurity in polystyrene food containers and other products - liberated on heating. Styrene trimer. Present as an impurity in polystyrene food containers and other products - liberated on heating

   

1,3,5-Triphenylcyclohexane

2(5)-Phenyl-2(1),2(2),2(3),2(4),2(5),2(6)-hexahydro-1(1),2(1):2(3),3(1)-terphenyl

C24H24 (312.1877904)


1,3,5-Triphenylcyclohexane is a packaging migration residue. Present as an impurity in polystyrene food containers and other products; liberated on heating. Packaging migration residue. Present as an impurity in polystyrene food containers and other products; liberated on heating

   

Methyl (9Z)-10'-oxo-6,10'-diapo-6-carotenoate

Methyl (4Z,6E,8E,10E,12E,14E)-4,8,13-trimethyl-16-oxohexadeca-2,4,6,8,10,12,14-heptaenoic acid

C20H24O3 (312.1725354)


Methyl (9Z)-10-oxo-6,10-diapo-6-carotenoate is a constituent of Bixa orellana (annatto) Constituent of Bixa orellana (annatto).

   

5-Methoxy-7-(4-hydroxyphenyl)-1-phenyl-3-heptanone

7-(4-hydroxyphenyl)-5-methoxy-1-phenylheptan-3-one

C20H24O3 (312.1725354)


5-Methoxy-7-(4-hydroxyphenyl)-1-phenyl-3-heptanone is found in herbs and spices. 5-Methoxy-7-(4-hydroxyphenyl)-1-phenyl-3-heptanone is a constituent of Alpinia officinarum (lesser galangal). Constituent of Alpinia officinarum (lesser galangal). 5-Methoxy-7-(4-hydroxyphenyl)-1-phenyl-3-heptanone is found in herbs and spices.

   

4'-Hydroxy-5,5'-diisopropyl-2,2'-dimethyl-3,4-biphenylquinone

4-[4-hydroxy-2-methyl-5-(propan-2-yl)phenyl]-3-methyl-6-(propan-2-yl)cyclohexa-3,5-diene-1,2-dione

C20H24O3 (312.1725354)


4-Hydroxy-5,5-diisopropyl-2,2-dimethyl-3,4-biphenylquinone is found in herbs and spices. 4-Hydroxy-5,5-diisopropyl-2,2-dimethyl-3,4-biphenylquinone is a constituent of the leaves of thyme (Thymus vulgaris). Shows antioxidant activity. Constituent of the leaves of thyme (Thymus vulgaris). Shows antioxidant activity. 4-Hydroxy-5,5-diisopropyl-2,2-dimethyl-3,4-biphenylquinone is found in herbs and spices.

   

N-Undecylbenzenesulfonic acid

4-Undecylbenzene-1-sulphonic acid

C17H28O3S (312.1759058)


N-Undecylbenzenesulfonic acid is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") It is used as a food additive .

   

1,2,3,4-Tetrahydro-1-phenyl-4-(2-phenylethyl)naphthalene

1-phenyl-4-(2-phenylethyl)-1,2,3,4-tetrahydronaphthalene

C24H24 (312.1877904)


1,2,3,4-Tetrahydro-1-phenyl-4-(2-phenylethyl)naphthalene is a packaging migration residue. Packaging migration residue

   

1,2,3,4-Tetrahydro-1-phenyl-4-(1-phenylethyl)naphthalene

1,2,3,4-Tetrahydro-1-phenyl-4-(1-phenylethyl)naphthalene

C24H24 (312.1877904)


1,2,3,4-Tetrahydro-1-phenyl-4-(1-phenylethyl)naphthalene is a packaging migration residue. Packaging migration residue

   

2-hydroxyethinylestradiol

(17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-2,3,17-triol

C20H24O3 (312.1725354)


2-hydroxyethinylestradiol is a metabolite of ethinyl estradiol. Ethinyl estradiol (EE) /ˌɛθɨnɨlˌiːstrəˈdaɪ.əl/, also sometimes written as ethinylestradiol, ethynyl estradiol, or ethinyl œstradiol, is a derivative of 17β-estradiol (E2), the major endogenous estrogen in humans. EE is an orally bioactive estrogen used in many formulations of combined oral contraceptive pills. It is one of the most commonly used medications for this purpose. (Wikipedia)

   

1-Isopropyl-6-methylergoline-8-carboxylic acid

6-methyl-11-(propan-2-yl)-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),9,12,14-tetraene-4-carboxylic acid

C19H24N2O2 (312.18376839999996)


   

Xylamidine

N-[2-(3-methoxyphenoxy)propyl]-2-(3-methylphenyl)ethanimidamide

C19H24N2O2 (312.18376839999996)


D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists

   

norajmaline

13-Ethyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol

C19H24N2O2 (312.18376839999996)


Norajmaline is a member of the class of compounds known as ajmaline-sarpagine alkaloids. Ajmaline-sarpagine alkaloids are organic compounds containing either of the ajmalan, sarpagan skeleton, or derivative thereof. The Sarpagine (Akuammidine) group, based on the sarpagan nucleus, arises from bond formation between C-16 and C-5 of the corynantheine precursor. Ajmaline alkaloids are based on a 17,19-secoyohimban skeleton (oxayohimban) which is invariably present as an ether. Norajmaline is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Norajmaline can be found in a number of food items such as roselle, chayote, savoy cabbage, and onion-family vegetables, which makes norajmaline a potential biomarker for the consumption of these food products.

   

Hypolide

Phenanthro(1,2-c)furan-1(3H)-one, 3b,4,5,9b,10,11-hexahydro-6-hydroxy-9b-methyl-7-(1-methylethyl)-, (3bR-trans)-

C20H24O3 (312.1725354)


(3bR,9bS)-6-hydroxy-9b-methyl-7-propan-2-yl-3,3b,4,5,10,11-hexahydronaphtho[2,1-e]isobenzofuran-1-one is an oxo steroid. Triptophenolide is a natural product found in Tripterygium regelii, Tripterygium hypoglaucum, and other organisms with data available. Triptophenolide is a colorless crystalline plate isolated from ethyl acetate extracts of Tripterygium wilfordii. IC50 value: Target: In vitro: Triptophenolide can remarkably inhibit the delayed type hypersensitivity (DTH) reaction induced by DNCB and BSA; and diminished the peripheral blood ANAE+lymphocytes in rats and micc. Moreover, triptophenolide can dramatically increase the amount of total serum complement and significautly decrcase the serum antibody products (1gG ) of rats and mice. The phagocytosis of perioneal exudate macrophages in mice present double effects in vitro [1]. In vivo: Triptophenolide is a colorless crystalline plate isolated from ethyl acetate extracts of Tripterygium wilfordii. IC50 value: Target: In vitro: Triptophenolide can remarkably inhibit the delayed type hypersensitivity (DTH) reaction induced by DNCB and BSA; and diminished the peripheral blood ANAE+lymphocytes in rats and micc. Moreover, triptophenolide can dramatically increase the amount of total serum complement and significautly decrcase the serum antibody products (1gG ) of rats and mice. The phagocytosis of perioneal exudate macrophages in mice present double effects in vitro [1]. In vivo:

   

6-hydroxy-9b-methyl-7-propan-2-yl-3,3b,4,5,10,11-hexahydronaphtho[2,1-e][2]benzofuran-1-one

6-hydroxy-9b-methyl-7-propan-2-yl-3,3b,4,5,10,11-hexahydronaphtho[2,1-e][2]benzofuran-1-one

C20H24O3 (312.1725354)


   
   

2-EpicycloisoBrachycoumarin

2-EpicycloisoBrachycoumarin

C20H24O3 (312.1725354)


   

4-Geranyloxy-5-methyl coumarin

4-Geranyloxy-5-methyl coumarin

C20H24O3 (312.1725354)


   

Hydrocupreine

6-Hydroxydihydrocinchonidine

C19H24N2O2 (312.18376839999996)


   
   

2alpha-Hydroxyjatropholone

(+)-2alpha-Hydroxyjatropholone

C20H24O3 (312.1725354)


   

3-Oxomicrostegiol

3-Oxomicrostegiol

C20H24O3 (312.1725354)


   
   

Stapfinine

5-hydroxyvoaphylline

C19H24N2O2 (312.18376839999996)


   
   
   
   
   

Cyclobrachycoumarin

Cyclobrachycoumarin

C20H24O3 (312.1725354)


   

Rubifolide

(+)-Rubifolide

C20H24O3 (312.1725354)


   
   
   

2beta-Hydroxyjatropholone

(+)-2beta-Hydroxyjatropholone

C20H24O3 (312.1725354)


   

4-(undecan-5-yl)benzene-1-sulfonic acid

4-(undecan-5-yl)benzene-1-sulfonic acid

C17H28O3S (312.1759058)


   

17alpha-ethynylestra-1,3,5(10)-trien-3,6alpha,17beta-triol|19-norpregna-1,3,5(10)-triene-20-yne-3,6alpha,17beta-triol|6alpha-hydroxy-ethinylestradiol|6alpha-hydroxy-ethynylestradiol

17alpha-ethynylestra-1,3,5(10)-trien-3,6alpha,17beta-triol|19-norpregna-1,3,5(10)-triene-20-yne-3,6alpha,17beta-triol|6alpha-hydroxy-ethinylestradiol|6alpha-hydroxy-ethynylestradiol

C20H24O3 (312.1725354)


   
   
   
   
   
   
   
   
   
   

3,4,18beta-cyclopropa-14-oxo-ent-abieta-8,9,13,15-dien-16,12-olide|retusolide B

3,4,18beta-cyclopropa-14-oxo-ent-abieta-8,9,13,15-dien-16,12-olide|retusolide B

C20H24O3 (312.1725354)


   
   

9E-Isomer-Neolaugerine|neolaugerine

9E-Isomer-Neolaugerine|neolaugerine

C19H24N2O2 (312.18376839999996)


   

methyl (Z)-4-<(2E,5E)-3,7-dimethylocta-2,5,7-trienyloxy>cinnamate

methyl (Z)-4-<(2E,5E)-3,7-dimethylocta-2,5,7-trienyloxy>cinnamate

C20H24O3 (312.1725354)


   

N(1)-desacetyl 18-hydroxyisoretuline|N-desacetyl-18-hydroxyisoretuline|Na-Desacetyl-18-hydroxyisoretuline

N(1)-desacetyl 18-hydroxyisoretuline|N-desacetyl-18-hydroxyisoretuline|Na-Desacetyl-18-hydroxyisoretuline

C19H24N2O2 (312.18376839999996)


   

15,16-Epoxy-neo-clerodan-1,3,13(16),14-tetraen-18,19-olide

15,16-Epoxy-neo-clerodan-1,3,13(16),14-tetraen-18,19-olide

C20H24O3 (312.1725354)


   

(3S,5R)-3-Hydroxy-5-methoxy-1-(4-hydroxyphenyl)-7-phenyl-6E-heptene

(3S,5R)-3-Hydroxy-5-methoxy-1-(4-hydroxyphenyl)-7-phenyl-6E-heptene

C20H24O3 (312.1725354)


   
   
   

(4bS,8aS)-4b,5,6,7,8,8a-Hexahydro-3-hydroxy-4b,8,8-trimethyl-2-(2-propenyl)phenanthren-1,4-dion|Lanugon A

(4bS,8aS)-4b,5,6,7,8,8a-Hexahydro-3-hydroxy-4b,8,8-trimethyl-2-(2-propenyl)phenanthren-1,4-dion|Lanugon A

C20H24O3 (312.1725354)


   

cleistha-8,11,13-trien-7-one-19,20beta-olide

cleistha-8,11,13-trien-7-one-19,20beta-olide

C20H24O3 (312.1725354)


   
   

7-oxo-18(4->3)abeo-abieta-3,8,11,13-tetraen-18-oic acid

7-oxo-18(4->3)abeo-abieta-3,8,11,13-tetraen-18-oic acid

C20H24O3 (312.1725354)


   
   

Gravelliferon-methylaether|gravelliferone methyl ether|Me ether-Gravelliferone|Methyl-gravelliferon

Gravelliferon-methylaether|gravelliferone methyl ether|Me ether-Gravelliferone|Methyl-gravelliferon

C20H24O3 (312.1725354)


   
   
   
   

(1S*,6R*,7S*,8S*,11R*)-6,11-diphenyltricyclo[6.2.2.02,7]dodeca-2,9-diene

(1S*,6R*,7S*,8S*,11R*)-6,11-diphenyltricyclo[6.2.2.02,7]dodeca-2,9-diene

C24H24 (312.1877904)


   

17alpha-ethynyl-1,4-estradien-10,17beta-diol-3-one|17alpha-Ethynyl-1,4-estradiene-10,17beta-diol-3-one

17alpha-ethynyl-1,4-estradien-10,17beta-diol-3-one|17alpha-Ethynyl-1,4-estradiene-10,17beta-diol-3-one

C20H24O3 (312.1725354)


   
   

(3aS,5aR,12bS,12cR)-2,3,3a,4,5a,6,11,12,12b,12c-decahydro-3a,12b-dimethylfuro[3,2:5,6]cyclohepta[1,2:3,4]naphtho[1,8-bc]furan-9(1H)-one|limbatenolide B

(3aS,5aR,12bS,12cR)-2,3,3a,4,5a,6,11,12,12b,12c-decahydro-3a,12b-dimethylfuro[3,2:5,6]cyclohepta[1,2:3,4]naphtho[1,8-bc]furan-9(1H)-one|limbatenolide B

C20H24O3 (312.1725354)


   

Me ether-Ostruthin

Me ether-Ostruthin

C20H24O3 (312.1725354)


   
   
   
   

4-Methyl-2-(2,3-dimethylbenzyl)-3-[[(3-methyl-2-butenoyl)oxy]methyl]furan

4-Methyl-2-(2,3-dimethylbenzyl)-3-[[(3-methyl-2-butenoyl)oxy]methyl]furan

C20H24O3 (312.1725354)


   

11,12E-dehydrostrictic acid

11,12E-dehydrostrictic acid

C20H24O3 (312.1725354)


   

1,2,11,12E-tetradehydrohardwickiic acid

1,2,11,12E-tetradehydrohardwickiic acid

C20H24O3 (312.1725354)


   
   

17-Hydroxy-16-decarbomethoxydihydroepiajmalicine

17-Hydroxy-16-decarbomethoxydihydroepiajmalicine

C19H24N2O2 (312.18376839999996)


   
   

E-1-[2,4-dihydroxy-5-(3-hydroxy-3-methylbutyl)benzyl]-2-phenylethylene|erythbidin C

E-1-[2,4-dihydroxy-5-(3-hydroxy-3-methylbutyl)benzyl]-2-phenylethylene|erythbidin C

C20H24O3 (312.1725354)


   

11-hydroxy-5,7,9,13-abietatetraene-2,12-dione

11-hydroxy-5,7,9,13-abietatetraene-2,12-dione

C20H24O3 (312.1725354)


   

3-oxoandrost-4,6,15-trien-16-oic acid

3-oxoandrost-4,6,15-trien-16-oic acid

C20H24O3 (312.1725354)


   

Cneorum-Chromon-H

Cneorum-Chromon-H

C20H24O3 (312.1725354)


   
   
   

3-Ethyl-3-hydroxy-1,3-ethano-1,3-propanospiro[1H-indole-2(3H),2-piperidine]-9-one

3-Ethyl-3-hydroxy-1,3-ethano-1,3-propanospiro[1H-indole-2(3H),2-piperidine]-9-one

C19H24N2O2 (312.18376839999996)


   
   
   
   

4-epi-curcusone E

4-epi-curcusone E

C20H24O3 (312.1725354)


   
   
   

12-Hydroxysapriparaquinone

12-Hydroxysapriparaquinone

C20H24O3 (312.1725354)


   

Pygmaeocin C|Pygmaoecin C

Pygmaeocin C|Pygmaoecin C

C20H24O3 (312.1725354)


   

2-Hydroxysaprorthoquinone

2-Hydroxysaprorthoquinone

C20H24O3 (312.1725354)


   
   

(12R)-4-methoxy-2-oxatricyclo[13.2.2.13,7]icosa-3,5,7(20),15,17,18-hexaen-12-ol|2-O-methyl acerogenin A|acerogenin 2-methyl ether|acerogenin A methyl ether

(12R)-4-methoxy-2-oxatricyclo[13.2.2.13,7]icosa-3,5,7(20),15,17,18-hexaen-12-ol|2-O-methyl acerogenin A|acerogenin 2-methyl ether|acerogenin A methyl ether

C20H24O3 (312.1725354)


   

3-(1,1-dimethylallyl)-8-(3,3-dimethylallyl)-7-methoxycoumarin

3-(1,1-dimethylallyl)-8-(3,3-dimethylallyl)-7-methoxycoumarin

C20H24O3 (312.1725354)


   

(3aS,5aR,12bS,12cR)-2,3,3a,4,5a,6,11,12,12b,12c-decahydro-3a,12b-dimethylfuro[3,2:5,6]cyclohepta[1,2:3,4]naphtho[1,8-bc]furan-7(1H)-one|limbatenolide A

(3aS,5aR,12bS,12cR)-2,3,3a,4,5a,6,11,12,12b,12c-decahydro-3a,12b-dimethylfuro[3,2:5,6]cyclohepta[1,2:3,4]naphtho[1,8-bc]furan-7(1H)-one|limbatenolide A

C20H24O3 (312.1725354)


   

(ent-12E)-15,16-Epoxy-1,3,12,13(16),14-clerodapentaen-18-oic acid

(ent-12E)-15,16-Epoxy-1,3,12,13(16),14-clerodapentaen-18-oic acid

C20H24O3 (312.1725354)


   

(5R,7S,10S)-7alpha,16,7beta,20-diepoxycleistantha-8,11,13-trien-3-one|(5S,7S,10R)-7alpha,16-7beta,20-Diepoxycleistantha-8,11,13-trien-3-one|<5S,7S,10R>-7alpha,16: 7beta,20-diepoxycleistantha-8,11,13-triene-3-one

(5R,7S,10S)-7alpha,16,7beta,20-diepoxycleistantha-8,11,13-trien-3-one|(5S,7S,10R)-7alpha,16-7beta,20-Diepoxycleistantha-8,11,13-trien-3-one|<5S,7S,10R>-7alpha,16: 7beta,20-diepoxycleistantha-8,11,13-triene-3-one

C20H24O3 (312.1725354)


   

3-Ethyl-2,20-dioxabicyclo(14.3.1(eicosa-3,6,9,16,19-pentaen-12-yn-18-one

3-Ethyl-2,20-dioxabicyclo(14.3.1(eicosa-3,6,9,16,19-pentaen-12-yn-18-one

C20H24O3 (312.1725354)


   

4-O-Me 鈥樎?S)-Acerogenin A

4-O-Me 鈥樎?S)-Acerogenin A

C20H24O3 (312.1725354)


   

6-deoxo-5,6-didehydrolanugon Q

6-deoxo-5,6-didehydrolanugon Q

C20H24O3 (312.1725354)


   
   

7a,8,10,11-tetrahydro-3,8,8,11a-tetramethyl-phenanthro(10,1bc)pyran5(4H),9(7H)-dione|<5S,7S,10S>-3-oxo-cleistantha-8,11,13-trien-(16 - 7beta)-olide|[5S,7S,10S]-3-oxo-cleistantha-8,11,13-trien-(16 - 7beta)-olide

7a,8,10,11-tetrahydro-3,8,8,11a-tetramethyl-phenanthro(10,1bc)pyran5(4H),9(7H)-dione|<5S,7S,10S>-3-oxo-cleistantha-8,11,13-trien-(16 - 7beta)-olide|[5S,7S,10S]-3-oxo-cleistantha-8,11,13-trien-(16 - 7beta)-olide

C20H24O3 (312.1725354)


   

de-O-ethylsalvonitin

de-O-ethylsalvonitin

C20H24O3 (312.1725354)


   

3,4,18beta-cyclopropa-14-oxo-ent-abieta-7,13,15-dien-16,12-olide|retusolide C

3,4,18beta-cyclopropa-14-oxo-ent-abieta-7,13,15-dien-16,12-olide|retusolide C

C20H24O3 (312.1725354)


   

(E)-methyl 3-[2,2-dimethyl-8-(3-methylbut-2-en-1-yl)-2H-chromen-6-yl]acrylate|8-(3,3-dimethylallyl)wenteria chromene|8-<3,3-dimethylallyl>-werneria chromene

(E)-methyl 3-[2,2-dimethyl-8-(3-methylbut-2-en-1-yl)-2H-chromen-6-yl]acrylate|8-(3,3-dimethylallyl)wenteria chromene|8-<3,3-dimethylallyl>-werneria chromene

C20H24O3 (312.1725354)


   
   

4-Carbomethoxyathrixianon|4-Methoxycarbonylathrixianone

4-Carbomethoxyathrixianon|4-Methoxycarbonylathrixianone

C20H24O3 (312.1725354)


   
   

1-Oxo-salvibretol

1-Oxo-salvibretol

C20H24O3 (312.1725354)


   

1-Oxomicrostegiol

1-Oxomicrostegiol

C20H24O3 (312.1725354)


   
   

praziquantel

Praziquantel (Biltricide)

C19H24N2O2 (312.18376839999996)


P - Antiparasitic products, insecticides and repellents > P02 - Anthelmintics > P02B - Antitrematodals > P02BA - Quinoline derivatives and related substances D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent CONFIDENCE standard compound; INTERNAL_ID 164; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8927; ORIGINAL_PRECURSOR_SCAN_NO 8925 CONFIDENCE standard compound; INTERNAL_ID 164; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8934; ORIGINAL_PRECURSOR_SCAN_NO 8932 CONFIDENCE standard compound; INTERNAL_ID 164; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8954; ORIGINAL_PRECURSOR_SCAN_NO 8953 CONFIDENCE standard compound; INTERNAL_ID 164; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8977; ORIGINAL_PRECURSOR_SCAN_NO 8976 CONFIDENCE standard compound; INTERNAL_ID 164; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8993; ORIGINAL_PRECURSOR_SCAN_NO 8991 CONFIDENCE standard compound; INTERNAL_ID 2202 [Raw Data] CB144_Praziquantel_pos_50eV_CB000054.txt [Raw Data] CB144_Praziquantel_pos_40eV_CB000054.txt [Raw Data] CB144_Praziquantel_pos_30eV_CB000054.txt [Raw Data] CB144_Praziquantel_pos_20eV_CB000054.txt [Raw Data] CB144_Praziquantel_pos_10eV_CB000054.txt CONFIDENCE standard compound; EAWAG_UCHEM_ID 3272

   

C11-LAS (STANDARD MIX)

C11-LAS (STANDARD MIX)

C17H28O3S (312.1759058)


Auto-extracted from standard mix; CONFIDENCE Tentative identification: isomers possible (Level 3)

   

C11-LAS (SAMPLE)

C11-LAS (SAMPLE)

C17H28O3S (312.1759058)


Auto-extracted from 130925_neg_10.mzML; CONFIDENCE Tentative identification: isomers possible (Level 3)

   

Triptophenolide

Phenanthro(1,2-c)furan-1(3H)-one, 3b,4,5,9b,10,11-hexahydro-6-hydroxy-9b-methyl-7-(1-methylethyl)-, (3bR-trans)-

C20H24O3 (312.1725354)


Triptophenolide is a colorless crystalline plate isolated from ethyl acetate extracts of Tripterygium wilfordii. IC50 value: Target: In vitro: Triptophenolide can remarkably inhibit the delayed type hypersensitivity (DTH) reaction induced by DNCB and BSA; and diminished the peripheral blood ANAE+lymphocytes in rats and micc. Moreover, triptophenolide can dramatically increase the amount of total serum complement and significautly decrcase the serum antibody products (1gG ) of rats and mice. The phagocytosis of perioneal exudate macrophages in mice present double effects in vitro [1]. In vivo: Triptophenolide is a colorless crystalline plate isolated from ethyl acetate extracts of Tripterygium wilfordii. IC50 value: Target: In vitro: Triptophenolide can remarkably inhibit the delayed type hypersensitivity (DTH) reaction induced by DNCB and BSA; and diminished the peripheral blood ANAE+lymphocytes in rats and micc. Moreover, triptophenolide can dramatically increase the amount of total serum complement and significautly decrcase the serum antibody products (1gG ) of rats and mice. The phagocytosis of perioneal exudate macrophages in mice present double effects in vitro [1]. In vivo:

   
   

3-Hydroxypsilotin

3-Hydroxypsilotin

C20H24O3 (312.1725354)


   

Triptophenolide_major

Triptophenolide_major

C20H24O3 (312.1725354)


   

Triptophenolide_91.0\\%

Triptophenolide_91.0\\%

C20H24O3 (312.1725354)


   

Triptophenolide_72.0\\%

Triptophenolide_72.0\\%

C20H24O3 (312.1725354)


   

4-Hydroxyethinylestradiol

4-Hydroxyethinylestradiol

C20H24O3 (312.1725354)


   

2-hydroxyethinylestradiol

2-Hydroxy Ethynyl Estradiol

C20H24O3 (312.1725354)


D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones

   

19-Norpregna-1,3,5(10)-trien-20-yne-3,6,17-triol, (6b,17a)-

19-Norpregna-1,3,5(10)-trien-20-yne-3,6,17-triol, (6b,17a)-

C20H24O3 (312.1725354)


   

17-Ethynylestriol

17a-Ethynylestriol

C20H24O3 (312.1725354)


   

6-Hydroxyethinylestradiol

6-Hydroxyethinylestradiol

C20H24O3 (312.1725354)


   
   

Acitretin Ro 12-7310

Acitretin Ro 12-7310

C20H24O3 (312.1725354)


   

Apo-10'-bixinal

methyl (2E,4Z,6E,8E,10E,12E,14E)-4,8,13-trimethyl-16-oxohexadeca-2,4,6,8,10,12,14-heptaenoate

C20H24O3 (312.1725354)


   

Undecylbenzenesulfonic acid

4-Undecylbenzene-1-sulfonic acid

C17H28O3S (312.1759058)


   

7-(4-hydroxyphenyl)-5-methoxy-1-phenylheptan-3-one

7-(4-hydroxyphenyl)-5-methoxy-1-phenylheptan-3-one

C20H24O3 (312.1725354)


   

1-Phenyl-4-(2-phenylethyl)tetralin

1-phenyl-4-(2-phenylethyl)-1,2,3,4-tetrahydronaphthalene

C24H24 (312.1877904)


   

1-Phenyl-4-(1-phenylethyl)tetralin

1,2,3,4-Tetrahydro-1-phenyl-4-(1-phenylethyl)naphthalene

C24H24 (312.1877904)


   

4'-Hydroxy-5,5'-diisopropyl-2,2'-dimethyl-3,4-biphenylquinone

4-[4-hydroxy-2-methyl-5-(propan-2-yl)phenyl]-3-methyl-6-(propan-2-yl)cyclohexa-3,5-diene-1,2-dione

C20H24O3 (312.1725354)


   
   

2-((4-Ethoxyphenyl)amino)-2-phenyl-N-propylacetamide

2-((4-Ethoxyphenyl)amino)-2-phenyl-N-propylacetamide

C19H24N2O2 (312.18376839999996)


   

4-octylphenethyl methanesulfonate

4-octylphenethyl methanesulfonate

C17H28O3S (312.1759058)


   

5,6,14,15-DIBENZO-1,4-DIOXA-8,12-DIAZACYCLOPENTADECA-5,14-DIENE

5,6,14,15-DIBENZO-1,4-DIOXA-8,12-DIAZACYCLOPENTADECA-5,14-DIENE

C19H24N2O2 (312.18376839999996)


   

POLYIMIDAZOLINE, QUATERNIZED

POLYIMIDAZOLINE, QUATERNIZED

C14H24N4O4 (312.1797464)


   
   
   

(3S,6S,8AS)-METHYL 6-((TERT-BUTOXYCARBONYL)AMINO)-5-OXOOCTAHYDROINDOLIZINE-3-CARBOXYLATE

(3S,6S,8AS)-METHYL 6-((TERT-BUTOXYCARBONYL)AMINO)-5-OXOOCTAHYDROINDOLIZINE-3-CARBOXYLATE

C15H24N2O5 (312.1685134)


   

2-Methyl-2-propanyl 7-(2-methoxy-2-oxoethyl)-6-oxo-1,7-diazaspiro [4.4]nonane-1-carboxylate

2-Methyl-2-propanyl 7-(2-methoxy-2-oxoethyl)-6-oxo-1,7-diazaspiro [4.4]nonane-1-carboxylate

C15H24N2O5 (312.1685134)


   

Tofacitinib

Tofacitinib

C16H20N6O (312.169851)


L - Antineoplastic and immunomodulating agents > L04 - Immunosuppressants > L04A - Immunosuppressants > L04AA - Selective immunosuppressants C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors > D000075242 - Janus Kinase Inhibitors C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C172200 - JAK Inhibitor COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

(2-n-benzylaminoethyl)-3-aminopropyl-trimethoxysilane,tech-90

(2-n-benzylaminoethyl)-3-aminopropyl-trimethoxysilane,tech-90

C15H28N2O3Si (312.1869098)


   

1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid

1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid

C15H24N2O5 (312.1685134)


   

4-[2-(3,4-DIHYDRO-6,7-DIMETHOXY-2(1H)-ISOQUINOLINYL)ETHYL]-BENZENAMINE

4-[2-(3,4-DIHYDRO-6,7-DIMETHOXY-2(1H)-ISOQUINOLINYL)ETHYL]-BENZENAMINE

C19H24N2O2 (312.18376839999996)


   

buta-1,3-diene,N-(hydroxymethyl)prop-2-enamide,prop-2-enenitrile,styrene

buta-1,3-diene,N-(hydroxymethyl)prop-2-enamide,prop-2-enenitrile,styrene

C19H24N2O2 (312.18376839999996)


   

Titanium, Bu alc. iso-Pr alc. complexes

Titanium, Bu alc. iso-Pr alc. complexes

C14H32O4Ti (312.1779942)


   

(3R,4S)-Tofacitinib

(3R,4S)-Tofacitinib

C16H20N6O (312.169851)


   

(3S,4S)-Tofacitinib

(3S,4S)-Tofacitinib

C16H20N6O (312.169851)


   

(3S,4R)-Tofacitinib

(3S,4R)-Tofacitinib

C16H20N6O (312.169851)


   

(8R,9S,10R,13S,14S)-10,13-Dimethylspiro[7,8,9,11,12,13,15,16-octahydro-6H-cyclopenta[a]phenanthrene-6,2-oxirane]-3,17(10H,14H)-dione

(8R,9S,10R,13S,14S)-10,13-Dimethylspiro[7,8,9,11,12,13,15,16-octahydro-6H-cyclopenta[a]phenanthrene-6,2-oxirane]-3,17(10H,14H)-dione

C20H24O3 (312.1725354)


   

Trenbolone Acetate

Trenbolone Acetate

C20H24O3 (312.1725354)


D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D045930 - Anabolic Agents C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C2360 - Anabolic Steroid

   
   

4-(4-heptoxyphenyl)benzoic acid

4-(4-heptoxyphenyl)benzoic acid

C20H24O3 (312.1725354)


   

2,4-bis(dimethoxymethyl)-2,4-bis(hydroxymethyl)pentane-1,5-diol

2,4-bis(dimethoxymethyl)-2,4-bis(hydroxymethyl)pentane-1,5-diol

C13H28O8 (312.1784088)


   

Benzoic acid, 4-methyl-, 4-(hexyloxy)phenyl ester

Benzoic acid, 4-methyl-, 4-(hexyloxy)phenyl ester

C20H24O3 (312.1725354)


   

methyl (3s,6s,8ar)-6-[(tert-butoxycarbonyl)amino]-5-oxooctahydroindolizine-3-carboxylate

methyl (3s,6s,8ar)-6-[(tert-butoxycarbonyl)amino]-5-oxooctahydroindolizine-3-carboxylate

C15H24N2O5 (312.1685134)


   

5-amino-2-nitrobenzoic acid

5-amino-2-nitrobenzoic acid

C20H24O3 (312.1725354)


   
   

(R)-Praziquantel

(R)-Praziquantel

C19H24N2O2 (312.18376839999996)


C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent

   

2-(4-(1,1-Dimethylethyl)cyclohexyl)-3-hydroxy-1,4-naphthalenedione

2-(4-(1,1-Dimethylethyl)cyclohexyl)-3-hydroxy-1,4-naphthalenedione

C20H24O3 (312.1725354)


   

2-[3-(2-Hydroxyethoxy)-2,2-bis(2-hydroxyethoxymethyl)propoxy]ethanol

2-[3-(2-Hydroxyethoxy)-2,2-bis(2-hydroxyethoxymethyl)propoxy]ethanol

C13H28O8 (312.1784088)


   

(2E,4E,6E,8E)-9-(4-hydroxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid

(2E,4E,6E,8E)-9-(4-hydroxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid

C20H24O3 (312.1725354)


D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids

   

5,6,7,8,9,10-Hexahydro-4-hydroxy-3-(1-phenylpropyl)cycloocta[B]pyran-2-one

5,6,7,8,9,10-Hexahydro-4-hydroxy-3-(1-phenylpropyl)cycloocta[B]pyran-2-one

C20H24O3 (312.1725354)


   

Yakuchinone A

3-Heptanone, 1-(4-hydroxy-3-methoxyphenyl)-7-phenyl-

C20H24O3 (312.1725354)


Yakuchinone A is a natural product isolated from the fruit of Alpinia oxyphylla, which can induce apoptosis and has anticancer and anti-inflammatory activities[1]. Yakuchinone A is a natural product isolated from the fruit of Alpinia oxyphylla, which can induce apoptosis and has anticancer and anti-inflammatory activities[1].

   

5-(4-Sulfophenyl)undecane

5-(4-Sulfophenyl)undecane

C17H28O3S (312.1759058)


   

(9R,10S,12S,13S,14R,16S,18R)-13-ethyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol

(9R,10S,12S,13S,14R,16S,18R)-13-ethyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol

C19H24N2O2 (312.18376839999996)


   

2,3-dimethoxy-N-[4-(1-piperidinyl)phenyl]aniline

2,3-dimethoxy-N-[4-(1-piperidinyl)phenyl]aniline

C19H24N2O2 (312.18376839999996)


   

(6S,7S,8S)-7-[4-(1-cyclohexenyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one

(6S,7S,8S)-7-[4-(1-cyclohexenyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one

C19H24N2O2 (312.18376839999996)


   

(6S,7S,8R)-7-[4-(1-cyclohexenyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one

(6S,7S,8R)-7-[4-(1-cyclohexenyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one

C19H24N2O2 (312.18376839999996)


   

(6R,7S,8R)-7-[4-(1-cyclohexenyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one

(6R,7S,8R)-7-[4-(1-cyclohexenyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one

C19H24N2O2 (312.18376839999996)


   

(6R,7R,8R)-7-[4-(1-cyclohexenyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one

(6R,7R,8R)-7-[4-(1-cyclohexenyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one

C19H24N2O2 (312.18376839999996)


   

(6S,7R,8R)-7-[4-(1-cyclohexenyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one

(6S,7R,8R)-7-[4-(1-cyclohexenyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one

C19H24N2O2 (312.18376839999996)


   

(6R,7R,8S)-7-[4-(1-cyclohexenyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one

(6R,7R,8S)-7-[4-(1-cyclohexenyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one

C19H24N2O2 (312.18376839999996)


   

(1R,9R,10S,12R,13S,14R,17S,18R)-13-ethyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol

(1R,9R,10S,12R,13S,14R,17S,18R)-13-ethyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol

C19H24N2O2 (312.18376839999996)


   

17beta-Hydroxyestra-4,9,11-trien-3-one, acetate

17beta-Hydroxyestra-4,9,11-trien-3-one, acetate

C20H24O3 (312.1725354)


   

5-Methyl-4,4-pentamethylene-2-para-tolylpephydropyrrolo(3,4-C)pyrrole-1,3-dione

5-Methyl-4,4-pentamethylene-2-para-tolylpephydropyrrolo(3,4-C)pyrrole-1,3-dione

C19H24N2O2 (312.18376839999996)


   

3-Ethoxy-6-(5-methyl-1-methylthiomethoxy-4-hexenyl)-2-cyclohexen-1-one

3-Ethoxy-6-(5-methyl-1-methylthiomethoxy-4-hexenyl)-2-cyclohexen-1-one

C17H28O3S (312.1759058)


   

Isopropyl 2-(N-((4S)-4-(1-methylethyl)-2-oxazolidinone-3-carbamoyl)amino)-4-pentenoate

Isopropyl 2-(N-((4S)-4-(1-methylethyl)-2-oxazolidinone-3-carbamoyl)amino)-4-pentenoate

C15H24N2O5 (312.1685134)


   

Yakuchinone A

3-Heptanone, 1-(4-hydroxy-3-methoxyphenyl)-7-phenyl-

C20H24O3 (312.1725354)


1-(4-hydroxy-3-methoxyphenyl)-7-phenyl-3-heptanone is a ketone that is heptan-3-one substituted by a 4-hydroxy-3-methoxyphenyl group at position 1 and a phenyl group at position 7. Isolated from in Alpinia oxyphylla, it exhibits antineoplastic and inhibitory activities against COX-1, COX-2 and NO synthase. It has a role as a metabolite, a cyclooxygenase 1 inhibitor, a cyclooxygenase 2 inhibitor, an EC 1.14.13.39 (nitric oxide synthase) inhibitor and an antineoplastic agent. It is a monomethoxybenzene, a member of phenols and a ketone. Yakuchinone-A is a natural product found in Alpinia oxyphylla with data available. A ketone that is heptan-3-one substituted by a 4-hydroxy-3-methoxyphenyl group at position 1 and a phenyl group at position 7. Isolated from in Alpinia oxyphylla, it exhibits antineoplastic and inhibitory activities against COX-1, COX-2 and NO synthase. Yakuchinone A is a natural product isolated from the fruit of Alpinia oxyphylla, which can induce apoptosis and has anticancer and anti-inflammatory activities[1]. Yakuchinone A is a natural product isolated from the fruit of Alpinia oxyphylla, which can induce apoptosis and has anticancer and anti-inflammatory activities[1].

   

4-Undecylbenzenesulfonic acid

4-Undecylbenzenesulfonic acid

C17H28O3S (312.1759058)


   

2,4,6-Triphenyl-1-hexene

1,5-diphenylhex-5-en-3-ylbenzene

C24H24 (312.1877904)


   

4-Hydroxy-5,5-diisopropyl-2,2-dimethyl-3,4-biphenylquinone

4-Hydroxy-5,5-diisopropyl-2,2-dimethyl-3,4-biphenylquinone

C20H24O3 (312.1725354)


   

5-Methoxy-7-(4-hydroxyphenyl)-1-phenyl-3-heptanone

5-Methoxy-7-(4-hydroxyphenyl)-1-phenyl-3-heptanone

C20H24O3 (312.1725354)


   

Methyl (9Z)-10-oxo-6,10-diapo-6-carotenoate

Methyl (9Z)-10-oxo-6,10-diapo-6-carotenoate

C20H24O3 (312.1725354)


   

1,3,5-Triphenylcyclohexane

1,1,1-(1,3,5-Cyclohexanetriyl)tribenzene

C24H24 (312.1877904)


   

1,2,3,4-Tetrahydro-1-phenyl-4-(1-phenylethyl)naphthalene

1,2,3,4-Tetrahydro-1-phenyl-4-(1-phenylethyl)naphthalene

C24H24 (312.1877904)


   

1-phenyl-4-(2-phenylethyl)-1,2,3,4-tetrahydronaphthalene

1-phenyl-4-(2-phenylethyl)-1,2,3,4-tetrahydronaphthalene

C24H24 (312.1877904)


   

Hydroxyethinylestradiol

Hydroxyethinylestradiol

C20H24O3 (312.1725354)