Exact Mass: 278.1006
Exact Mass Matches: 278.1006
Found 500 metabolites which its exact mass value is equals to given mass value 278.1006,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Tuliposide A
Tuliposide a is a member of the class of compounds known as hexoses. Hexoses are monosaccharides in which the sugar unit is a is a six-carbon containing moeity. Tuliposide a is soluble (in water) and a very weakly acidic compound (based on its pKa). Tuliposide a can be found in garden onion, which makes tuliposide a a potential biomarker for the consumption of this food product.
Dibenz[a,h]anthracene
D009676 - Noxae > D002273 - Carcinogens Dibenz[a,h]anthracene (DBA) is a polycyclic aromatic hydrocarbon (PAH) of considerable tumorigenicity. Dibenz[a,h]anthracene results in DNA adduct formation leading to the activation of a DNA damage response. Dibenz[a,h]anthracene induces cell cycle arrest and apoptosis via both Tp53-dependent and Tp53-independent mechanisms[1][2].
Dibenz[a,c]anthracene
Pentalenolactone F
A tetracyclic sesquiterpene lactone obtained by formal epoxidation of the 4-methylene group of pentalenolactone E.
6-Tuliposide A
A 6-O-acyl-D-glucose that is the 6-O-(4-hydroxy-2-methylenebutanoyl) derivative of D-glucopyranose.
Artecanin
Artecanin belongs to guaianolides and derivatives class of compounds. Those are diterpene lactones with a structure characterized by the presence of a gamma-lactone fused to a guaiane, forming 3,6,9-trimethyl-azuleno[4,5-b]furan-2-one or a derivative. Artecanin is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Artecanin can be found in sweet bay, which makes artecanin a potential biomarker for the consumption of this food product.
Gamma-Glutamylmethionine
gamma-Glutamylmethionine is a dipeptide composed of gamma-glutamate and methionine, and is a proteolytic breakdown product of larger proteins. It belongs to the family of N-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. gamma-Glutamylmethionine is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. gamma-Glutamylmethionine is found in onion-family vegetables. It is isolated from the seeds of onion (Allium cepa), kidney bean (Phaseolus vulgaris), mung bean (Vigna radiata), garlic (Allium sativum), and black gram (Vigna mungo).
Marasmone
Marasmone is found in mushrooms. Marasmone is a constituent of Marasmius oreades (fairy ring mushroom) Constituent of Marasmius oreades (fairy ring mushroom). Marasmone is found in mushrooms.
Achimilic acid
Achimillic acid C is found in herbs and spices. Achimillic acid C is a constituent of Achillea millefolium (yarrow). Constituent of Achillea millefolium (yarrow). Achimillic acid B is found in herbs and spices.
Isomarasmone
Isomarasmone is found in mushrooms. Isomarasmone is a constituent of Marasmius oreades (fairy ring mushroom) Constituent of Marasmius oreades (fairy ring mushroom). Isomarasmone is found in mushrooms.
Solanolone
Solanolone is found in potato. Solanolone is a constituent of potato tubers infected with Phoma exigua var. foveata. Constituent of potato tubers infected with Phoma exigua variety foveata. Solanolone is found in potato.
11-Hydroxy-12-methoxydihydrokawain
11-Hydroxy-12-methoxydihydrokawain is found in beverages. 11-Hydroxy-12-methoxydihydrokawain is a constituent of Piper methysticum (kava). FDA advises against use of kava in food due to potential risk of severe liver damage (2002)
Glutamylmethionine
Glutamylmethionine is a dipeptide composed of glutamate and methionine, and is a proteolytic breakdown product of larger proteins. It belongs to the family of N-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. Glutamylmethionine is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Methionyl-Glutamate
Methionyl-Glutamate is a dipeptide composed of methionine and glutamate. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Isovalerylglucuronide
Isovaleryl glucuronide has been identified in the urine of patients with isovaleric acidemia made possible by using gas chromatograph-mass spectrometry (GC-MS). Isovaleryl glucuronide is more likely to be excreted when the amount of urinary 3-hydroxyisovaleric acid excretion is high. Isovaleryl glucuronide is more likely to be excreted when the amount of urinary 3-hydroxyisovaleric acid excretion is high. (PMID: 6547525). Isovaleric acidemia is caused by mutation in the isovaleryl CoA dehydrogenase gene and is closely related to maple syrup urine disease. It presents in two forms: the acute neonatal form, leading to massive metabolic acidosis from the first days of life and rapid death and a chronic form in which periodic attacks of severe ketoacidosis occur with asymptomatic intervening periods. (OMIM 243500). Isovaleryl glucuronide has been identified in the urine of patients with isovaleric acidemia made possible by using gas chromatograph-mass spectrometry (GC-MS). Isovaleryl glucuronide is more likely to be excreted when the amount of urinary 3-hydroxyisovaleric acid excretion is high. Isovaleryl glucuronide is more likely to be excreted when the amount of urinary 3-hydroxyisovaleric acid excretion is high. (PMID: 6547525)
2beta,9xi-Dihydroxy-8-oxo-1(10),4,11(13)-germacratrien-12,6alpha-olide
2beta,9xi-Dihydroxy-8-oxo-1(10),4,11(13)-germacratrien-12,6alpha-olide is found in herbs and spices. 2beta,9xi-Dihydroxy-8-oxo-1(10),4,11(13)-germacratrien-12,6alpha-olide is isolated from Tanacetum vulgare (tansy). Isolated from Tanacetum vulgare (tansy). 2beta,9xi-Dihydroxy-8-oxo-1(10),4,11(13)-germacratrien-12,6alpha-olide is found in herbs and spices.
1,2-Dihydrotanshinquinone
N-(2-Hydroxyethyl)ethylenediaminetriacetic acid
D064449 - Sequestering Agents > D002614 - Chelating Agents
Dihydrotanshinone
N-gamma-Glutamylcysteine ethyl ester
Methylenetanshinquinone
Raxofelast
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
Citflavanone
Citflavanone is a member of the class of compounds known as diphenylmethanes. Diphenylmethanes are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups. Citflavanone is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Citflavanone can be found in sweet orange, which makes citflavanone a potential biomarker for the consumption of this food product.
Dihydrotanshinone_I
Dihydrotanshinone I is an abietane diterpenoid. It has a role as an anticoronaviral agent. Dihydrotanshinone I is a natural product found in Salvia miltiorrhiza, Salvia przewalskii, and other organisms with data available. See also: Salvia Miltiorrhiza Root (part of). Dihydrotanshinone I is a natural compound extracted from Salvia miltiorrhiza Bunge which has been widely used for treating cardiovascular diseases. Dihydrotanshinone I exhibits entry-blocking effect for MERS-CoV. Dihydrotanshinone I is a natural compound extracted from Salvia miltiorrhiza Bunge which has been widely used for treating cardiovascular diseases. Dihydrotanshinone I exhibits entry-blocking effect for MERS-CoV.
11beta,13-Dihydrolactucin
A sesquiterpene lactone obtained by formal hydrogenation across the 11,13-double bond of lactucin. Found in chicory
1,13-Bis-O-desacetyl-1-oxoafraglaucolide
Dihydrotanshinone I
Dihydrotanshinone I is a natural compound extracted from Salvia miltiorrhiza Bunge which has been widely used for treating cardiovascular diseases. Dihydrotanshinone I exhibits entry-blocking effect for MERS-CoV. Dihydrotanshinone I is a natural compound extracted from Salvia miltiorrhiza Bunge which has been widely used for treating cardiovascular diseases. Dihydrotanshinone I exhibits entry-blocking effect for MERS-CoV.
1,10:2,3-Diepoxy-4-hydroxy-11(13)-guaien-12,6-olide
TRIPHENYLPHOSPHINE OXIDE
CONFIDENCE standard compound; INTERNAL_ID 825; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8827; ORIGINAL_PRECURSOR_SCAN_NO 8826 CONFIDENCE standard compound; INTERNAL_ID 825; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8840; ORIGINAL_PRECURSOR_SCAN_NO 8839 CONFIDENCE standard compound; INTERNAL_ID 825; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8870; ORIGINAL_PRECURSOR_SCAN_NO 8869 CONFIDENCE standard compound; INTERNAL_ID 825; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8871; ORIGINAL_PRECURSOR_SCAN_NO 8868 CONFIDENCE standard compound; INTERNAL_ID 825; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8916; ORIGINAL_PRECURSOR_SCAN_NO 8915 CONFIDENCE standard compound; INTERNAL_ID 825; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8887; ORIGINAL_PRECURSOR_SCAN_NO 8885 CONFIDENCE standard compound; INTERNAL_ID 2472 CONFIDENCE standard compound; INTERNAL_ID 8813 CONFIDENCE standard compound; INTERNAL_ID 8250 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3587 EAWAG_UCHEM_ID 3587; CONFIDENCE standard compound
2-methylidene-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoic acid
(2E,6beta,8beta,9beta,10beta)-form-6,9-Dihydroxy-4-oxo-1(5),2,11(13)-xanthatrien-12,8-olide|6beta,9beta-dihydroxy-8-epi-xanthatin
4,5-dihydroxy-3-methyl-2-{[(3R)-tetrahydro-2,2-dimethyl-5-oxofuran-3-yl]methyl}benzaldehyde|lycifuranone B
(1alpha,4E,6alpha,8beta.10alpha,14alpha)-1,10:8,14-Diepoxy-14-hydroxy-4,11(13)-germacradien-12,6-olide
4beta,5beta-epoxyxanthatin-1alpha,44a-endoperoxide
2,3-Dimethyloxirane-2-carboxylic acid 2-(3-methyloxiran-2-yl)-4-methoxyphenyl ester
(1alpha,2beta,5alpha,6alpha,8alpha,10alpha)-1,10-Epoxy-2,8-dihydroxy-3,11(13)-guaiadien-12,6-olide
8,13-dihydroxy-1-oxo-germacra-4,7(11),10(14)-trien-6alpha,12-olide
3-Formyl-2-(4-hydroxyphenyl)-5-(E)-propenylbenzofuran
15-hydroxygermacra-1(10),4-dien-(12,6);(14,8)-diolide
(S)-(-)-pulvilloric acid|(S)-8-Hydroxy-6-oxo-3-pentyl-4,6-dihydro-3H-isochromen-7-carbonsaeure|(S)-8-hydroxy-6-oxo-3-pentyl-4,6-dihydro-3H-isochromene-7-carboxylic acid|(S)-Pulvilloric acid
1-(2,2-Dimethyl-5,6-dimethoxy-7-hydroxy-2H-1-benzopyran-8-yl)ethanone
1-Oxo-2alpha,5alpha-peroxyeudesm-3-en-11betaH-12,6alpha-olide
1alpha,8alpha-dihydroxy-2-oxo-eudesman-3,7(11)-dien-8,12-olide|1alpha,8alpha-dihydroxy-2-oxo-eudesman-3,7(11)-dien-8beta,12-olide
8-(4-hydroxy-3-methylbutoxy)-7-methoxy-2H-chromen-2-one|deoxylacarol|desoxylacarol
8-oxo-2alpha-9-dihydroxy-trans,trans-germacra-1(10),4-dien-trans-6,12-olide
1-Desoxy-1alpha-peroxy-rupicolin A|1-desoxy-1alpha-peroxy-rupicolin-B
(4R*,5S*,6S*,7R*,8S*,10R*)-4,8-Dihydroxy-1-oxoeudesma-2,7(11)-dien-6,12-olide
3-(3-acetoxymethyl-2-hydroxybut-3-enyl)-4-hydroxyacetophenone
1-[2,3-dihydro-6-hydroxy-4,7-dimethoxy-2S-(prop-1-en-2-yl)benzofuran-5-yl]ethanone
A natural product found in Cyperus teneriffae.
(2R,4aR,6R,8aS,9aS)-6,9a-dihydroxy-3,8a-dimethyl-4,4a,6,8a,9,9a-hexahydro-2H-spiro[naphtho[2,3-b]furan-5,2-oxiran]-2-one|(20R,4aR,6R,8aS,9aS)-6,9a-dihydroxy-3,8a-dimethyl-4,4a,6,8a,9,9a-hexahydro-2H-spiro[naphtho[2,3-b]furan-5,20-oxiran]-2-one|linderolide A
4beta,5alpha-dihydroxy-1-oxoeudesma-2,11(13)-dien-12,6beta-olide
(2R,4aR,8aR,9aS)-9a-hydroxy-3,8a-dimethyl-4,4a,8,8a,9,9a-hexahydro-2H-spiro[naphtho[2,3-b]furan-5,2-oxirane]-2,6(7H)-dione|(20R,4aR,8aR,9aS)-9a-hydroxy-3,8a-dimethyl-4,4a,8,8a,9,9a-hexahydro-2H-spiro[naphtho[2,3-b]furan-5,20-oxirane]-2,6(7H)-dione|linderolide B
(E)-4-O-beta-D-glucopyranosyl-3-methylbut-2-enoic acid|dunnianoside J
1alpha,8alpha-epidioxy-4alpha-hydroxy- 5alphaH-guai-7(11),9-dien- 12,8-olide
(1S,3S,4S,4aS,9aS)-1,4,8-trihydroxy-3,4a-dimethyl-1,2,3,4,4a,9a-hexahydro-9H-xanthen-9-one|monodictysin B
10beta-hydroxy-5-oxo-1beta,2alpha-epoxygermacra-3Z,11(13)-dien-12,6alpha-olide
6-(beta-methoxypropionyl)-1,3-dimethyl-lumazine|6-beta-methoxypropionyl-1,3-dimethyllumazine
11alpha-11-Hydroxy-1,12-dioxo-7-drimen-15,11-olide
1-Oxo-8alpha-hydroxy-4alpha,5alpha-epoxyeudesm-2-en-11betaH-12,6alpha-olide|4alpha,5alpha-Epoxide-(6alpha,8alpha,11betaH)-8-Hydroxy-1-oxo-24-eudesmadien-12,6-olide
1,10-dioxo-1,10-deoxy-1,10-secogorgonolide|4-methyl-5-[(2S,3S,4S)-4-methyl-5-oxo-3-(3-oxobutyl)-tetrahydrofuran-2-yl]-cyclopent-4-ene-1,3-dione
1beta,4alpha-dihydroxy-2alpha,3alpha-epoxy-eudesma-7(11),8-dien-8,12-olide
6beta,8alpha-dihydroxy-1-oxoeremophila-7(11),9(10)-diene-12,8-olide
4-hydroxyphenethyl 2-(4-oxo-5,6-dihydro-2H-pyran-3-yl)acetate
1,10-epoxy-4-germacrene-12,8:15,6-diolide|11beta,13-dihydrodeoxymikanolide
1alpha,4alpha,8alpha-trihydroxyguaia-2,9,11(13)-triene-12,6alpha-olide
7alpha,8alpha-epoxy-eremophilan-12beta,8beta(14beta,6alpha)-diolide
Danshen extract
Methylenetanshinquinone is a natural product found in Salvia miltiorrhiza, Salvia trijuga, and Salvia paramiltiorrhiza with data available. 1,2-Dihydrotanshinquinone is a natural product found in Salvia miltiorrhiza, Salvia przewalskii, and Salvia yunnanensis with data available.
8-(2,3-dihydroxy-3-methylbutyl)-7-methoxychromen-2-one
C15H18O5_(3S,3aR,4S,9aS,9bR)-4-Hydroxy-9-(hydroxymethyl)-3,6-dimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione
C15H18O5_3H-2-Benzopyran-3-one, 1-(3-furanyl)-1,4,6,7,8,8a-hexahydro-4,6-dihydroxy-5,8a-dimethyl
C11H18O8_4-(beta-D-Glucopyranosyloxy)-2-methylenebutanoic acid
8-(2,3-dihydroxy-3-methylbutyl)-7-methoxychromen-2-one
(3E)-3-benzylidene-4-methyl-1H-1,4-benzodiazepine-2,5-dione
(3aR,4R,6E,10Z,11aR)-4-hydroxy-10-(hydroxymethyl)-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carbaldehyde
triphenylphosphineoxide
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 1081
8-(2,3-dihydroxy-3-methylbutyl)-7-methoxychromen-2-one [IIN-based: Match]
8-(2,3-dihydroxy-3-methylbutyl)-7-methoxychromen-2-one [IIN-based on: CCMSLIB00000848848]
(3aR,4R,6E,10Z,11aR)-4-hydroxy-10-(hydroxymethyl)-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carbaldehyde_major
8-(2,3-dihydroxy-3-methylbutyl)-7-methoxychromen-2-one_major
2-methylidene-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoic acid_major
DIHYDRO TANSHINONE
Dihydrotanshinone I is a natural compound extracted from Salvia miltiorrhiza Bunge which has been widely used for treating cardiovascular diseases. Dihydrotanshinone I exhibits entry-blocking effect for MERS-CoV. Dihydrotanshinone I is a natural compound extracted from Salvia miltiorrhiza Bunge which has been widely used for treating cardiovascular diseases. Dihydrotanshinone I exhibits entry-blocking effect for MERS-CoV.
11-Hydroxy-12-methoxydihydrokawain
N-gamma-L-Glutamyl-L-methionine
Isomarasmone
2b,9X-Dihydroxy-8-oxo-1(10),4,11(13)-germacratrien-12,6a-olide
Achimilic acid
ethyl 6,7-dimethoxy-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxylate
1-O-(4-hydroxy-2-methylene-butanoyl)-beta-D-glucopyranose
chloroethene,ethenyl acetate,3-hydroxypropyl prop-2-enoate
12-Bromododecanoic Acid
A bromo fatty acid consisting of lauric acid having a single bromo-substituent at the 12-position.
Clidanac
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
benzyl 4-[amino(thiocarbonyl)]piperidine-1-carboxylate
N-Ethyl-N-(2-hydroxyethyl)-1,4-phenylenediamine sulfate
3-(4-METHOXY-PHENYL)-1-PHENYL-1H-PYRAZOLE-4-CARBALDEHYDE
1-hydroxy-5-nitro-3-oxidospiro[benzimidazol-3-ium-2,1-cyclohexane]-4-imine
(4-HYDROXYMETHYL-2-PYRIDIN-3-YL-OXAZOLIDIN-4-YL)-METHANOL
Methanol,1,1-(1,1,3,3-tetramethyl-1,3-disiloxanediyl)bis-, 1,1-diacetate
2-(7-METHOXYQUINOLIN-4-YL)-1-(PYRIDIN-2-YL)ETHANONE
ethyl (4-ethoxycarbonyl-5-pyrazolyl)aminomethylenecyanoacetate
2-(4-NITROPHENYL)-4,4,5,5-TETRAMETHYLIMIDAZOLINE-3-OXIDE-1-OXYL
chloroethene,ethenyl acetate,2-hydroxypropyl prop-2-enoate
(3-NITRO-5-(PIPERIDINE-1-CARBONYL)PHENYL)BORONIC ACID
3-(Piperidin-3-ylmethoxymethyl)-pyridine dihydrochloride
Rilmenidine phosphate
Rilmenidine phosphate, an innovative antihypertensive agent, is an orally active, selective I1 imidazoline receptor agonist. Rilmenidine phosphate is an alpha 2-adrenoceptor agonist. Rilmenidine phosphate induces autophagy. Rilmenidine phosphate acts both centrally by reducing sympathetic overactivity and in the kidney by inhibiting the Na+/H+ antiport. Rilmenidine phosphate modulates proliferation and stimulates the proapoptotic protein Bax thus inducing the perturbation of the mitochondrial pathway and apoptosis in human leukemic K562 cells [1][2][3].
(2S,3R)-3-(2,5-difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl)butanenitrile
5-(3,4,5-trimethoxyphenyl)-4H-pyrazole-3-carboxylic acid
Bimakalim
D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D020011 - Protective Agents > D002316 - Cardiotonic Agents C26170 - Protective Agent > C2079 - Cardioprotective Agent
3-METHYL-5-PHENOXY-1-PHENYL-1H-PYRAZOLE-4-CARBALDEHYDE
(4-Benzylmorpholin-2-Yl)Methanamine Dihydrochloride
1-(4-METHOXY-BENZYL)-PYRROLIDIN-3-YLAMINE DIHYDROCHLORIDE
1-(3-METHOXY-BENZYL)-PYRROLIDIN-3-YLAMINE DIHYDROCHLORIDE
8-(BENZO[D][1,3]DIOXOL-5-YL)-1,4-DIOXASPIRO[4.5]DECAN-8-OL
2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
(3-ISOBUTOXY-5-(TRIFLUOROMETHOXY)PHENYL)BORONIC ACID
2-(TERT-BUTYL)-4,5,6-TRIMETHYL-3-NITROPHENYL ISOTHIOCYANATE
7-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-c]pyridine
2-(4,4-dimethyl-2-oxo-2,4-dihydro-1h-benzo[d][1,3]oxazin-6-yl)benzonitrile
3-(4,4-DIMETHYL-2-OXO-2,4-DIHYDRO-1H-BENZO[D][1,3]OXAZIN-6-YL)BENZONITRILE
3-O-BENZYL-1,2-O-ISOPROPYLIDENE-ALPHA-D-XYLO-PENTODIALDO-1,4-FURANOSE
3-(2-P-TOLYLIMIDAZO[1,2-A]PYRIDIN-3-YL)ACRYLICACID
(3aR,5R,6S,6aS)-6-chloro-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
Boronic acid,B-[6-(phenylmethoxy)-2-naphthalenyl]-
2-(2-HYDROXYETHYLAMINO)-N-(3-(TRIFLUOROMETHOXY)PHENYL)ACETAMIDE
Methyl-(3-phenyl-isoxazol-5-ylmethyl)-amine OXALATE
Phosphonic acid,P-(1-naphthalenylmethyl)-, diethyl ester
4-Chloro-1H-pyrrolo[2,3-b]pyridine-5-boronic acid pinacol ester
1-(morpholin-4-ylsulfonyl)piperidine-4-carboxylic acid
(2z)-N-Biphenyl-4-Yl-2-Cyano-3-Hydroxybut-2-Enamide
Isosecotanapartholide
A sesquiterpene lactone isolated from Artemisia rutifolia and Artemisia iwayomogi and has been shown to inhibit nitric oxide synthase.
Ethyl 3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxylate
(5-chloro-1H-benzimidazol-2-yl)(4-methylpiperazin-1-yl)methanone
N4-(3-fluorophenyl)-N2-methyl-5-nitropyrimidine-2,4,6-triamine
N-{[1,1-biphenyl]-4-yl}-5-methyl-1,2-oxazole-3-carboxamide
(3aS)-3a-hydroxy-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one
4-(4-Hydroxy-3-Methylphenyl)-6-Phenylpyrimidin-2(5h)-One
1-(furan-3-yl)-4,6-dihydroxy-5,8a-dimethyl-4,6,7,8-tetrahydro-1H-isochromen-3-one
(1R,8R)-3,3-dimethyl-10,13-dioxo-11-oxatricyclo[6.5.0.01,5]tridec-6-ene-7-carboxylic acid
(1S,4aR,9aR)-8,8-dimethyl-3-oxospiro[4a,6a,7,9-tetrahydro-4H-pentaleno[6a,1-c]pyran-1,2-oxirane]-5-carboxylic acid
Monodictysin B
A member of the class of xanthones that is 1,2,3,4,4a,9a-hexahydro-9H-xanthen-9-one substituted by hydroxy groups at positions 1, 4 and 8 and methyl groups at positions 3 and 4a (the 1S,3S,4S,4aS,9aS stereoisomer). Isolated from the marine algicolous fungus Monodictys putredinis, it exhibits antineoplastic activity.
Gualenic acid
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
1-Methyl-2-[(phenylthio)methyl]-3-indolecarbonitrile
N-[[2-(1-cyclohexenyl)ethylamino]-sulfanylidenemethyl]-2-furancarboxamide
1-Bicyclo[2.2.2]oct-2-enyl 4-methylbenzenesulonate
N4-(4-fluorophenyl)-N2-methyl-5-nitropyrimidine-2,4,6-triamine
6-O-(4-hydroxy-2-methylene-butanoyl)-beta-D-glucopyranose
3,4,5-Trihydroxy-6-[(3-methylbutanoyl)oxy]oxane-2-carboxylic acid
3,4,5-Trihydroxy-6-(oxolan-2-ylmethoxy)oxane-2-carboxylic acid
Benzo[k]tetraphene
D009676 - Noxae > D002273 - Carcinogens Dibenz[a,h]anthracene (DBA) is a polycyclic aromatic hydrocarbon (PAH) of considerable tumorigenicity. Dibenz[a,h]anthracene results in DNA adduct formation leading to the activation of a DNA damage response. Dibenz[a,h]anthracene induces cell cycle arrest and apoptosis via both Tp53-dependent and Tp53-independent mechanisms[1][2].
Glu-met
A dipeptide composed of L-glutamic acid and L-methionine joined by a peptide linkage.
6-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-4-methoxy-5,6-dihydro-2H-pyran-2-one
2beta,9xi-Dihydroxy-8-oxo-1(10),4,11(13)-germacratrien-12,6alpha-olide
gamma-Glu-Met
A dipeptide composed of L-glutamic acid and L-methionine joined by a peptide linkage.
5-NIdR
5-NIdR (1-(β-D-2-Deoxyribofuranosyl)-5-nitroindole), an artificial nucleoside, exhibits the ability to inhibit the replication of DNA lesions generated by Temozolomide (HY-17364). 5-NIdR induces cancer cells apoptosis and arrests cell cycle at G0 phase. 5-NIdR enhances Temozolomide anti-tumor efficacy in murine glioblastoma model[1].
(2r,3r,5s,6r)-1,2,3,4,5,6-hexahydroxycyclohexyl (2e)-2-methylbut-2-enoate
(3s,3ar,4r,9as,9br)-4-hydroxy-9-(hydroxymethyl)-3,6-dimethyl-3h,3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-2,7-dione
(4s,11ar)-4-hydroxy-3-(hydroxymethyl)-10-methyl-6-methylidene-4h,5h,8h,9h,11ah-cyclodeca[b]furan-2,7-dione
3-[(2r)-butan-2-yldisulfanyl]prop-2-en-1-yl 3-hydroxy-3-methylbutanoate
(3ar,4s,11ar)-4-hydroxy-10-(hydroxymethyl)-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-6-carbaldehyde
(12r,14r)-9,12-dihydroxy-4,8,14-trimethyl-6,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),2(7),8-trien-3-one
(3s,3as,4s,4as,7as,8s,9ar)-4-hydroxy-4a,8-dimethyl-3a,4,7a,8,9,9a-hexahydrospiro[azuleno[6,5-b]furan-3,2'-oxirane]-2,5-dione
(3ar,4s,6as,9ar,9bs)-6a-hydroperoxy-4-hydroxy-9-methyl-3,6-dimethylidene-3ah,4h,5h,7h,9ah,9bh-azuleno[4,5-b]furan-2-one
[(2r,3s,4s,5r,6r)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl 4-hydroxy-2-methylidenebutanoate
3-[(2-methyl-3,5-dioxocyclopent-1-en-1-yl)methyl]-2-methylidene-6-oxoheptanoic acid
4,6a,9-trihydroxy-9-methyl-3,6-dimethylidene-3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-2-one
(3as,6r,6as,9ar,9bs)-6,9a-dihydroxy-6,9-dimethyl-3-methylidene-3ah,4h,5h,6ah,9bh-azuleno[4,5-b]furan-2,7-dione
4-hydroxy-9-(hydroxymethyl)-3,6-dimethyl-3h,3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-2,7-dione
3-methylbutanoyl (2z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
(1s,4r,6s,12s,15r)-4-hydroxy-5,5-dimethyl-11,13-dioxatetracyclo[7.5.1.0¹,⁶.0¹²,¹⁵]pentadec-8-ene-2,14-dione
1,6,7,10-tetrahydroxy-3-methyl-6,7,8,8a,10,10a-hexahydro-5h-anthracen-9-one
(1s,3s,8s,12s,15s)-8-hydroxy-3,15-dimethyl-5,14-dioxatetracyclo[6.6.1.0²,⁶.0¹²,¹⁵]pentadec-2(6)-ene-4,13-dione
8-(4-hydroxy-3-methylbutoxy)-7-methoxychromen-2-one
4-methyl-5-[4-methyl-5-oxo-3-(3-oxobutyl)oxolan-2-yl]cyclopent-4-ene-1,3-dione
(3r)-3-hydroxy-4-methoxy-5-methyl-6-[(3-methylbut-2-en-1-yl)oxy]-3h-2-benzofuran-1-one
(2r,2'r,3's,5'r,7'r,9's,12'r)-2'-hydroxy-7'-methyl-12'-(prop-1-en-2-yl)-4',10'-dioxaspiro[oxirane-2,6'-tetracyclo[7.2.1.0²,⁷.0³,⁵]dodecan]-11'-one
(4as,8s,8ar,9as)-8,9a-dihydroxy-3,5,8a-trimethyl-4h,4ah,8h,9h-naphtho[2,3-b]furan-2,7-dione
(1s,3r,6e,8r,12s,13s,15s)-15-hydroxy-6-methyl-11-methylidene-2,9,14-trioxatetracyclo[11.2.1.0¹,³.0⁸,¹²]hexadec-6-en-10-one
(1s,4s,5r,7s,8z,11s)-4-hydroxy-4,9-dimethyl-14-methylidene-6,12-dioxatricyclo[9.3.0.0⁵,⁷]tetradec-8-ene-10,13-dione
3-[(2s,3z,5r,6e,8e)-1,2-dihydroxydeca-3,6,8-trien-5-yl]-4-hydroxy-5-methylidenefuran-2-one
1-[(2r,3s)-6-hydroxy-3,7-dimethoxy-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone
(3s)-3,9-dihydroxy-7,7-dimethyl-1h,3h,4h,6h,8h-indeno[5,6-c]pyran-5-carboxylic acid
(3as,4s,6as,9ar,9bs)-6a-hydroperoxy-4-hydroxy-6,9-dimethyl-3-methylidene-3ah,4h,7h,9ah,9bh-azuleno[4,5-b]furan-2-one
(3as,4s,6as,9ar,9bs)-6a-hydroperoxy-4-hydroxy-9-methyl-3,6-dimethylidene-3ah,4h,5h,7h,9ah,9bh-azuleno[4,5-b]furan-2-one
(1s,2r,5s,9s,10s,11s)-2-hydroxy-2,11-dimethyl-6-methylidene-8,12,13-trioxatetracyclo[9.2.2.0¹,¹⁰.0⁵,⁹]pentadec-14-en-7-one
3,5-dihydroxy-7-methoxy-6-methyl-4-(3-methylbut-2-en-1-yl)-3h-2-benzofuran-1-one
5-[(4-hydroxy-3-methylbut-2-en-1-yl)oxy]-7-methoxy-6-methyl-3h-2-benzofuran-1-one
4,9-dihydroxy-3,4a-dimethyl-4h,5h,6h,7h,8h-naphtho[2,3-b]furan-5-carboxylic acid
(3ar,4as,6r,7ar,8r,9as)-4a,6-dihydroxy-3,5-dimethylidene-hexahydro-3ah-spiro[azuleno[6,5-b]furan-8,2'-oxiran]-2-one
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 4-hydroxy-2-methylidenebutanoate
(4r,12r,14r)-9,12-dihydroxy-4,8,14-trimethyl-6,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),2(7),8-trien-3-one
6,9a-dihydroxy-6,9-dimethyl-3-methylidene-3ah,4h,5h,6ah,9bh-azuleno[4,5-b]furan-2,7-dione
(3s,4ar,5s,10ar)-5,9-dihydroxy-7-methoxy-3-methyl-1h,3h,4h,4ah,5h,10ah-naphtho[2,3-c]pyran-10-one
(3s)-3,8-dimethyl-2h,3h-phenanthro[4,3-b]furan-4,5-dione
(3r,4s)-7-hydroxy-3,4,5-trimethyl-7-(2-oxopropyl)-3,4-dihydro-2-benzopyran-6,8-dione
(4s,5s)-5-[(1s,2s)-2-hydroxy-2-methyl-5-oxocyclopent-3-en-1-yl]-3-methylidene-4-(3-oxobutyl)oxolan-2-one
(3r,5s)-5-(hydroxymethyl)-10-(4-methylpent-3-en-1-yl)-4,8-dioxatricyclo[5.3.0.0³,⁵]dec-1(10)-ene-2,9-dione
(3ar,4r,5ar,6r,9bs)-4,6-dihydroxy-5a,9-dimethyl-3-methylidene-3ah,4h,5h,6h,7h,9bh-naphtho[1,2-b]furan-2,8-dione
1-[6-hydroxy-3,7-dimethoxy-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone
2-hydroxy-4-methyl-3-(phenylmethylidene)-1,4-benzodiazepin-5-one
(3s,4s,5s)-5-[(3r)-3-hydroxy-2-methyl-5-oxocyclopent-1-en-1-yl]-3-methyl-4-[(1e)-3-oxobut-1-en-1-yl]oxolan-2-one
3,8-dimethyl-2h,3h-phenanthro[4,3-b]furan-4,5-dione
6,7,11-trihydroxy-2,10,10-trimethyl-3-methylidenetricyclo[6.3.0.0²,⁶]undec-1(8)-ene-4,9-dione
9-hydroxy-3-(hydroxymethyl)-10-methyl-6-methylidene-4h,5h,8h,9h,11ah-cyclodeca[b]furan-2,7-dione
4,6-dihydroxy-5a,9-dimethyl-3-methylidene-3ah,4h,5h,6h,7h,9bh-naphtho[1,2-b]furan-2,8-dione
1,2-dihvdrotanquinone
{"Ingredient_id": "HBIN000790","Ingredient_name": "1,2-dihvdrotanquinone","Alias": "NA","Ingredient_formula": "C18H14O3","Ingredient_Smile": "CC1=CCCC2=C1C=CC3=C2C(=O)C(=O)C4=C3OC=C4C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "33931","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1,2-dihydrotanshiquinone
{"Ingredient_id": "HBIN000803","Ingredient_name": "1,2-dihydrotanshiquinone","Alias": "NA","Ingredient_formula": "C18H14O3","Ingredient_Smile": "CC1=CCCC2=C1C=CC3=C2C(=O)C(=O)C4=C3OC=C4C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15093","TCMID_id": "5722","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
15,17-dihydrotanshinone i
{"Ingredient_id": "HBIN001579","Ingredient_name": "15,17-dihydrotanshinone i","Alias": "NA","Ingredient_formula": "C18H14O3","Ingredient_Smile": "CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3C=CC=C4C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5720","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2α,8α一Dihydroxy一lα,10α一ePoxyguaia一3,11(13)一diene一12,6α一olid
{"Ingredient_id": "HBIN005255","Ingredient_name": "2\u03b1,8\u03b1\u4e00Dihydroxy\u4e00l\u03b1,10\u03b1\u4e00ePoxyguaia\u4e003,11(13)\u4e00diene\u4e0012,6\u03b1\u4e00olid","Alias": "NA","Ingredient_formula": "C15H18O5","Ingredient_Smile": "CC1=CC(C23C1C4C(C(CC2(O3)C)O)C(=C)C(=O)O4)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42358","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
8-hydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide; (1(10)e,4e,6α,8β)-form,4α,5β-epoxide
{"Ingredient_id": "HBIN013756","Ingredient_name": "8-hydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide; (1(10)e,4e,6\u03b1,8\u03b2)-form,4\u03b1,5\u03b2-epoxide","Alias": "NA","Ingredient_formula": "C15H18O5","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7356","PubChem_id": "NA","DrugBank_id": "NA"}
Acid decyl ester
{"Ingredient_id": "HBIN014548","Ingredient_name": "Acid decyl ester","Alias": "NA","Ingredient_formula": "C12H23BrO2","Ingredient_Smile": "CCCCCCCCCCOC(=O)CBr","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "32867","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
Artelin
{"Ingredient_id": "HBIN016941","Ingredient_name": "Artelin","Alias": "NA","Ingredient_formula": "C15H18O5","Ingredient_Smile": "NA","Ingredient_weight": "278.3","OB_score": "41.23253155","CAS_id": "66173-52-2","SymMap_id": "SMIT07954","TCMID_id": "NA","TCMSP_id": "MOL006311","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
