Exact Mass: 356.1776
Exact Mass Matches: 356.1776
Found 500 metabolites which its exact mass value is equals to given mass value 356.1776,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Chalepin acetate
Chalepin acetate is found in herbs and spices. Chalepin acetate is a constituent of Ruta graveolens (rue)
Gingerenone A
Constituent of Zingiber officinale (ginger). Gingerenone A is found in herbs and spices and ginger. Gingerenone A is found in ginger. Gingerenone A is a constituent of Zingiber officinale (ginger) Gingerenone A is a Nrf2-Gpx4 activator with anti-breast-cancer properties. Gingerenone A results a delayed G2/M in cancer cells, following oxidative stress and senescence responses. Gingerenone A also alleviates ferroptosis in secondary liver injury (SLI) in dextran sodium sulfate (DSS)-induced colitis mice. Gingerenone A can be isolated from Zingiber officinale[1][2]. Gingerenone A is a Nrf2-Gpx4 activator with anti-breast-cancer properties. Gingerenone A results a delayed G2/M in cancer cells, following oxidative stress and senescence responses. Gingerenone A also alleviates ferroptosis in secondary liver injury (SLI) in dextran sodium sulfate (DSS)-induced colitis mice. Gingerenone A can be isolated from Zingiber officinale[1][2].
denudatin B
Pheniramine maleate
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D003879 - Dermatologic Agents > D000982 - Antipruritics D018926 - Anti-Allergic Agents Same as: D01174
Kadsurenone
Myricanone
Myricanone is a cyclic ketone isolated from the bark of Morella species and has been shown to exhibit cytotoxic activity against cancer cells. It has a role as an antineoplastic agent and a plant metabolite. It is a diarylheptanoid, an aromatic ether, a member of methoxybenzenes, a member of phenols and a cyclic ketone. Myricanone is a natural product found in Myrica nagi, Morella rubra, and other organisms with data available. A cyclic ketone isolated from the bark of Morella species and has been shown to exhibit cytotoxic activity against cancer cells. Myricanone is a constituent of Myrica nagi and Myrica rubra (Chinese bayberry) [CCD]
Xanthoplanine
Xanthoplanine is found in fruits. Quaternary alkaloid from Litsea cubeba (mountain pepper). Quaternary alkaloid from Litsea cubeba (mountain pepper). Xanthoplanine is found in fruits.
Mammea B/AD cyclo D
Mammea B/AD cyclo D is found in fruits. Mammea B/AD cyclo D is isolated from Mammea americana (mamey). Isolated from Mammea americana (mamey). Mammea B/AD cyclo D is found in fruits.
1,2,3,4-Tetrahydro-1-[1-hydroxy-3-(4-hydroxyphenyl)-2-propenyl]-6,7-dimethoxy-2-naphthalenol
1,2,3,4-Tetrahydro-1-[1-hydroxy-3-(4-hydroxyphenyl)-2-propenyl]-6,7-dimethoxy-2-naphthalenol is found in fruits. 1,2,3,4-Tetrahydro-1-[1-hydroxy-3-(4-hydroxyphenyl)-2-propenyl]-6,7-dimethoxy-2-naphthalenol is from Musa acuminata (dwarf banana) infected with Fusarium oxysporum. From Musa acuminata (dwarf banana) infected with Fusarium oxysporum. 1,2,3,4-Tetrahydro-1-[1-hydroxy-3-(4-hydroxyphenyl)-2-propenyl]-6,7-dimethoxy-2-naphthalenol is found in fruits.
Mammea B/AC cyclo D
Mammea B/AC cyclo D is found in fruits. Mammea B/AC cyclo D is isolated from Mammea americana (mamey). Isolated from Mammea americana (mamey). Mammea B/AC cyclo D is found in fruits.
2,3-dimethoxy-5-[7-methoxy-3-methyl-5-(prop-1-en-1-yl)-2,3-dihydro-1-benzofuran-2-yl]phenol
Fragransol C
Fragransol C is found in herbs and spices. Fragransol C is a constituent of Myristica fragrans (nutmeg) Constituent of Myristica fragrans (nutmeg). Fragransol C is found in nutmeg and herbs and spices.
alpha,beta-Dihydroxanthohumol
alpha,beta-Dihydroxanthohumol is found in alcoholic beverages. alpha,beta-Dihydroxanthohumol is a constituent of hops (Humulus lupulus) Constituent of hops (Humulus lupulus). alpha,beta-Dihydroxanthohumol is found in alcoholic beverages.
Pibutidine
Pibutidine belongs to the family of Alkyl Aryl Ethers. These are organic compounds containing the alkyl aryl ether functional group with formula R-O-R , where R is an alkyl group and R is an aryl group. C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29702 - Histamine-2 Receptor Antagonist
3-Methylthiofentanyl
3-Methylthiofentanyl belongs to the class of organic compounds known as anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.
(+)-2-(Benzothiophen-4-yl)-N-methyl-N-((1R,2R)-2-pyrrolidin-1-ylcyclohexyl)acetamide
19-Epischolaricine
6-Amino-4-(4-phenoxyphenylethylamino)quinazoline
Denudatin B
Fluanisone
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AD - Butyrophenone derivatives C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent
S-adenosyl-L-methioninamine
Decarboxy-sam, also known as S-adenosyl 3-(methylthio)propylamine or dcsam, is a member of the class of compounds known as 5-deoxy-5-thionucleosides. 5-deoxy-5-thionucleosides are 5-deoxyribonucleosides in which the ribose is thio-substituted at the 5position by a S-alkyl group. Decarboxy-sam is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Decarboxy-sam can be found in a number of food items such as caraway, celeriac, prunus (cherry, plum), and sparkleberry, which makes decarboxy-sam a potential biomarker for the consumption of these food products. Decarboxy-sam may be a unique E.coli metabolite.
Schisandrone
Schisandrone is a natural product found in Schisandra sphenanthera and Schisandra arisanensis with data available. Schisandrone, a 4-aryltetralone lignan, is isolated from the dried fruits of Schisandra sphenanthera[1]. Schisandrone is an alpha-hemolysin (Hla) inhibitor that downregulates the transcript levels of hla, agrA and RNAIII. Hla is an integral virulence determinant in Staphylococcus aureus that determines pathogenicity. Schisandrone is a potent inhibitor against MRSA pneumonia[2].
Isodihydrofutoquinol A
futokadsurin C
A lignan that is tetrahydrofuran substituted by methyl groups at positions 3 and 4, a 3,4-dimethoxyphenyl group at position 5 and a 1,3-benzodioxol-5-yl moiety at position 2 (the 2R,3R,4S,5S stereoisomer). Isolated from the aerial parts of Piper futokadsura, it exhibits inhibitory activity against production of nitric oxide (NO).
3-Hydroxy-9-methoxy-10-(3-hydroxy-3-methylbutyl)pterocarpan
2,4,6-Trihydroxy-3-methoxy-5-prenyldihydrochalcone
2,4,4-Trihydroxy-3,6,6-trimethylpyrano[2,3:6,5]dihydrochalcone
2,4,5-Trihydroxy-3,6,6-trimetylpyrano[2,3:6,5]dihydrochalcone
Fluanisone
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AD - Butyrophenone derivatives C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent
N-(Naphthalen-1-yl)-1-pentyl-1H-indole-3-carboxamide
2,3,1,2,3,9-hexahydro-1H-[1,9]bi[pyrrolo[2,1-b]quinazolinyl]-9-one|Depegin|Dipegine
Delta8-3,4-methylenedioxy-5,3,5-trimethoxy-8-O-4-neolignan|rel-(8R)-Delta8-3,4-methylenedioxy-3,5-dimethoxy-8.0.4-neolignan
3,5,7-Trihydroxy-1,1,6-trimethyl-8-(3-phenyl-1-oxopropyl)dihydrobenzopyran|5,2,2-trimethyl-4,6,3-trihydroxy-dihydropyran (5,6:3,2) dihydrochalcone
angustilodine|methyl 1,2,3,4,4a,5,11,11a-octahydro-11a-hydroxy-2-methyl-5,11-(oxydimethylene)-6H-pyrido[4,3-b]carbazole-5-carboxylate
4,4-Bis-methyl-5,5-<(1-methyltrimethylen)di>(methylnicotinate)|4,4-Bis-methyl-5,5-[(1-methyltrimethylen)di](methylnicotinate)|Alkaloid LA 5
1,2-dimethoxy-3,4-methylenedioxy-4-oxo-Delta2,5,8-8,5-lignan|4-Allyl-4,5-dimethoxy-2-[2-(3,4-methylenedioxyphenyl)-1-methylethyl]-2,5-cyclohexadien-1-one
(5aR,6S,7S,8R,9R)-9-formyl-7-hydroxy-3,8-dimethyl-1-oxo-5a,6-(2,2-dimethyl-propano)-8,9-methano-5a,6,7,8,9-pentahydro-2,5-dioxaanthracene|rel-(5aR,6S,7S,8R,9R)-9-formyl-7-hydroxy-3,8-dimethyl-1-oxo-5a,6-(2,2-dimethyl-propano)-8,9-methano-5a,6,7,8,9-pentahydro-2,5-dioxaanthracene
Scholaricine
A natural product found in Alstonia scholaris and Alstonia species.
(4E,6E,12E)-1-acetoxy-3-senecioyloxytetradeca-4,6,12-trien-8,10-diyn-14-ol|(4E,6E,12E)-3-(3-Methyl-2-butenoyl),1-Ac-4,6,12-Tetradecatriene-8,10-diyne-1,3,14-triol,|14-acetoxy-12-senecioyloxytetradeca-2E,8E,10E-trien-4,6-diyn-1-ol
3alpha-hydroxy-14-senecioyloxy-1,2-dehydrocacalol methyl ether
(-)-trans-verbenol beta-D-glucopyranoside 6-acetate
(8S,8R)-3,4,dimethoxy-3,4-methylenedioxy-7-oxo-8,8-neolignan
7alpha-hydroxy-11,16-diketo-apian-8,14(15)-dien-(20,6)-olide
lespeflorin C3
A member of the class of dihydrochalcones that is alpha-hydroxydihydrochalcone substituted by hydroxy groups at positions 4 and 4, a methoxy group at position 2 and a prenyl group at position 5. Isolated from the roots of Lespedeza floribunda, it acts as a melanin synthesis inhibitor.
(7S,8S,1R)-Delta8-3,4,5-trimethoxy-1,4-dihydro-4-oxo-6.O.2,7.1-neolignan|3alpha-allyl-5-methoxy-3-methyl-2-(3,4-dimethoxy-phenyl)-2,3,3a,6-tetrahydro-6-oxo-benzofuran
(-)-(2R,3S)-8-(3,3-dimethylallyl)-5-methoxy-3,7,4-trihydroxyflavan|(2R,3S)-3,4,5,7-Tetrahydroxy-8-prenylflavan
(-)-(2R,3S)-7,8-(2,2-dimethylpyrano)-3,4-dihydroxy-5-methoxyflavan|3,4,9,10-Tetrahydro-2-(4-hydroxyphenyl)-5-methoxy-8,8-dimethyl-2H,8H-benzo[1,2-b:3,4-b]dipyran-3-ol,
(-)-8-epiholostylone|(-)8,8S-Epi-holostylone|(7R,8S,8S)-8,8-dimethyl-4-hydroxy-3,4,5-trimethoxy-2,7-cyclolignan-7-one
6-[2-(1,3-Benzodioxol-5-yl)-1-methylethyl]-3,4-dimethoxy-6-(2-propenyl)-2,4-cyclohexadien-1-one
(cis)-chrysanthenol beta-D-glucopyranoside 6-acetate
(3S)-3-acetoxy-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)-(6E)-6-heptene
(9S,9aR)-3-hexanoyl-9-hydroxy-9a-methyl-6-((E)-prop-1-enyl)-9,9a-dihydro-2H-furo[3,2-g]isochromen-2-one|monaphilol B
12,16-epoxy-6-methoxy-11,14-dihydroxy-17(15?16)-abeo-5,8,11,13,15-abietapentaen-7-one|15-dehydrocyrtophyllone A
3-(2-Hydroxy-3-(3-methyl-2-butenyl)-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-7,8-diol
2-(2-methoxyethanol)-1-(2-propen-1-yl)-5-[4-(2-propen-1-yl)phenoxy]-3,4-benzenediol|magnobovatol
Methyl 5-(3-furoylmethyl)-1,5,6-trimethyl-3-oxo-1,2,3,5,6,7-hexahydro-1-naphthalenecarboxylate
8-Ac,Me ester-(1beta,4alpha,6alpha,8alpha)-1,4,6,8-Tetrahydroxy-11(13)-eudesmen-12-oic acid
(4bS,7R,8aR)-7-Formyloxy-4b,5,6,7,8,8a-hexahydro-3-hydroxy-4b,8,8-trimethyl-2-(2-propenyl)phenanthren-1,4-dion
(7R,8R,1S)-Delta-8-1,6-dihydro-1,3,4-trimethoxy-6-oxo-7.0.4,8.3-lignan
2,6-dimethyl-3-hydroxymethyl-1,4,6-heptatriene-9-O-(6-acetyl-beta-D-glucopyranoside)
3-(1,1-dimethyl-2-propenyl)-4-(3,3-dimethyl-3-hydroxy-1-oxopropyloxy)-6-phenyl-2H-pyran-2-one
1-(3,4-dimethoxyphenyl)-2,3-dimethyl-4-piperonylbutan-1-one
3-Deoxy,4-hydroxy-3,5,7-Trihydroxy-1,1,6-trimethyl-8-(3-phenyl-1-oxopropyl)dihydrobenzopyran|5,2,2-trimethyl-4,6,4-trihydroxy-dihydropyran (5,6:3,2) dihydrochalcone
Juglanin A
A cyclic ketone isolated from the extract of the seed husks of walnuts Juglans regia and has been shown to exhibit cytotoxic activity against human hepatoma cells.
11-methoxyhumantenmine|4,20-dehydrogelsemicine|gelegamine D
Xanthoplanine
Xanthoplanine is an isoquinoline alkaloid. Xanthoplanine is a natural product found in Thalictrum foliolosum, Dehaasia incrassata, and other organisms with data available.
Kadsurenone
Kadsurenone is a member of benzofurans. Kadsurenone is a natural product found in Magnolia liliiflora, Piper hancei, and other organisms with data available.
OdoratisolA
Glyasperin C
Glyasperin C is a methoxyisoflavan that is (R)-isoflavan substituted by a methoxy group at position 5, hydroxy groups at positions 7, 2 and 4 and a prenyl group at position 6. It has been isolated from Glycyrrhiza uralensis. It has a role as a plant metabolite and an EC 1.14.18.1 (tyrosinase) inhibitor. It is a member of hydroxyisoflavans and a methoxyisoflavan. It derives from a hydride of a (R)-isoflavan. Glyasperin C is a natural product found in Glycyrrhiza glabra, Glycyrrhiza uralensis, and Glycyrrhiza aspera with data available. See also: Glycyrrhiza uralensis Root (part of). A methoxyisoflavan that is (R)-isoflavan substituted by a methoxy group at position 5, hydroxy groups at positions 7, 2 and 4 and a prenyl group at position 6. It has been isolated from Glycyrrhiza uralensis.
1-(3,4-dimethoxyphenyl)-2-(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)propan-1-one
4-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-4,5-dimethoxy-2-prop-2-enylcyclohexa-2,5-dien-1-one
(E)-3-[4-[1-(3,4-dimethoxyphenyl)propan-2-yloxy]-3-methoxyphenyl]prop-2-enal
2-[6-(2-methylbut-3-en-2-yl)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yl acetate
C21H24O5_7-Benzofurancarboxylic acid, 2,3-dihydro-2-(1-hydroxy-1-methylethyl)-4-methoxy-6-(2-phenylethyl)
4-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-4,5-dimethoxy-2-prop-2-enylcyclohexa-2,5-dien-1-one
NNEI - N-1-naphthalenyl-1-pentyl-1H-indole-3-carboxamide 20 NCE
NNEI - N-1-naphthalenyl-1-pentyl-1H-indole-3-carboxamide 30 NCE
NNEI - N-1-naphthalenyl-1-pentyl-1H-indole-3-carboxamide 40 NCE
1-(3,4-dimethoxyphenyl)-2-(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)propan-1-one [IIN-based on: CCMSLIB00000845152]
2-[6-(2-methylbut-3-en-2-yl)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yl acetate [IIN-based: Match]
1-(3,4-dimethoxyphenyl)-2-(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)propan-1-one [IIN-based: Match]
2-[6-(2-methylbut-3-en-2-yl)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yl acetate [IIN-based on: CCMSLIB00000848402]
Gly Pro Pro Ser
Gly Pro Ser Pro
Gly Ser Pro Pro
Pro Gly Pro Ser
Pro Gly Ser Pro
Pro Pro Gly Ser
Pro Pro Ser Gly
Pro Ser Gly Pro
Pro Ser Pro Gly
Ser Gly Pro Pro
Ser Pro Gly Pro
Ser Pro Pro Gly
Fragransol C
Myricanone
Mammea B/AD cyclo D
1,2,3,4-Tetrahydro-1-[1-hydroxy-3-(4-hydroxyphenyl)-2-propenyl]-6,7-dimethoxy-2-naphthalenol
Pibutidine
C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29702 - Histamine-2 Receptor Antagonist
Canangalia D
Proglumide sodium salt
Proglumide sodium is a nonpeptide and orally active cholecystokinin (CCK)-A/B receptors antagonist. Proglumide sodium selective blocks CCK’s effects in the central nervous system (CNS). Proglumide sodium has ability to inhibit gastric secretion and to protect the gastroduodenal mucosa. Proglumide sodium also has antiepileptic and antioxidant activities[1][2][3][4][5].
{3-[2-(4-HYDROXY-PHENYL)-ACETYLAMINO]-BENZYL}-CARBAMICACIDTERT-BUTYLESTER
{4-[2-(4-HYDROXY-PHENYL)-ACETYLAMINO]-BENZYL}-CARBAMICACIDTERT-BUTYLESTER
N-((S)-1-(((R)-1-hydroxy-3-methylbutyl)amino)-1-oxo-3-phenylpropan-2-yl)pyrazine-2-carboxamide
N-(6-((tert-Butyldimethylsilyloxy)methyl)-2-chloropyridin-3-yl)pivalamide
5-O-TBDMS-thymidine
5'-O-TBDMS-dT is a nucleoside with protective and modification effects.
1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-[2-(4-nitrophenyl)ethyl]-
(2R,3R)-N-((1S,2R)-1-hydroxy-1-phenylpropan-2-yl)-3-Methoxy-2-Methyl-3-((S)-pyrrolidin-2-yl)propanaMide (hydrochloride)
Methylnaltrexone
D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D009292 - Narcotic Antagonists C78272 - Agent Affecting Nervous System > C681 - Opiate Antagonist
6-Methyl-5-[3-Methyl-3-(3,4,5-Trimethoxyphenyl)but-1-Yn-1-Yl]pyrimidine-2,4-Diamine
Pheniramine maleate
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D003879 - Dermatologic Agents > D000982 - Antipruritics D018926 - Anti-Allergic Agents
N-(3-aminopropyl)-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
1alpha,5alpha-Dimercaptoandrostane-3alpha,17beta-diol
Gingerenone A
Gingerenone A is a Nrf2-Gpx4 activator with anti-breast-cancer properties. Gingerenone A results a delayed G2/M in cancer cells, following oxidative stress and senescence responses. Gingerenone A also alleviates ferroptosis in secondary liver injury (SLI) in dextran sodium sulfate (DSS)-induced colitis mice. Gingerenone A can be isolated from Zingiber officinale[1][2]. Gingerenone A is a Nrf2-Gpx4 activator with anti-breast-cancer properties. Gingerenone A results a delayed G2/M in cancer cells, following oxidative stress and senescence responses. Gingerenone A also alleviates ferroptosis in secondary liver injury (SLI) in dextran sodium sulfate (DSS)-induced colitis mice. Gingerenone A can be isolated from Zingiber officinale[1][2].
S-Adenosyl-L-methioninamine
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
(-)-(3S)-3-acetoxy-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)-(6E)-6-heptene
A diarylheptanoid that is (6E)-6-heptene substituted by an acetoxy group at position 3, a 3,4-dihydroxyphenyl group at position 1 and a 4-hydroxyphenyl group at position 7 (the 3S-stereoisomer). It has been isolated from the rhizomes of Curcuma kwangsiensis.
(+)-(3R)-3-acetoxy-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)-(6E)-6-heptene
A diarylheptanoid that is (6E)-6-heptene substituted by an acetoxy group at position 3, a 3,4-dihydroxyphenyl group at position 1 and a 4-hydroxyphenyl group at position 7 (the 3R-stereoisomer). It has been isolated from the rhizomes of Curcuma kwangsiensis.
futokadsurin B
A lignan that is tetrahydrofuran substituted by methyl groups at positions 3 and 4, a 3,4-dimethoxyphenyl group at position 5 and a 1,3-benzodioxol-5-yl moiety at position 2 (the 2S,3R,4R,5R stereoisomer). Isolated from the aerial parts of Piper futokadsura, it exhibits inhibitory activity against production of nitric oxide (NO).
Phosphatoquinone A
An organic heterotricyclic compound resulting from the formal epoxidation of the 2-3 double bond of the 1,4-naphthoquinone moiety of phosphatoquinone B. It is isolated from the culture broth of Streptomyces sp.TC-0363 and exhibits inhibitory activity against the enzyme protein tyrosine phosphatase.
2,2-spirobi[3,6,7,8-tetrahydro-1H-cyclopenta[g]naphthalene]-5,5-dione
1-[1-Ethyl-6-methyl-4-(4-phenyl-1-piperazinyl)-2-sulfanylidene-5-pyrimidinyl]ethanone
(7S,14S)-(-)-7-Methyl-10-O-demethylxylopinine
A natural product found in Annona glabra.
7-(4-Ethylpiperazin-1-yl)-14-methyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene
N-[2-(4-fluorophenyl)ethyl]-2-[2-(2-hydroxyethylamino)-1-benzimidazolyl]acetamide
1-[(3-chlorophenyl)methyl]-N-methyl-N-(phenylmethyl)-3-piperidinecarboxamide
1,2-Dihydroacenaphthylen-5-yl-[1-(2-pyridinylmethyl)-3-piperidinyl]methanone
(4E)-4-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methylidene]-5-methyl-2-phenylpyrazol-3-one
Delta(6)-prednisone
A glucocorticoid that is prednisone in which a double bond is introduced at position 6. It is a metabolite of prednisone found in human urine.
4-[4-[(1S,5R)-3-(4-oxazolylmethyl)-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile
(E)-4-[4-[2-(7-methoxy-1,3-benzodioxol-5-yl)ethyl]phenoxy]-2-methylbut-2-en-1-ol
3-[4-[(1S,5R)-3-(4-oxazolylmethyl)-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile
2-[[(2R)-2-hexanoyloxy-3-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
(2R)-2-[(2S)-2-[4-[(3-fluorophenyl)methoxy]phenyl]piperidin-1-yl]propanamide
(2R)-2-[(2R)-2-[4-[(3-fluorophenyl)methoxy]phenyl]piperidin-1-yl]propanamide
(E)-3-(4-((1-(3,4-Dimethoxyphenyl)propan-2-yl)oxy)-3-methoxyphenyl)acrylaldehyde
2-[(3-Hexanoyloxy-2-hydroxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
4-Ethoxycarbonyl-5-methyl-6-(1-propenyl)-2-(para-tolyl)perhydropyrrolo(3,4-C)pyrrole-1,3-dione
4-Ethoxycarbonyl-5-methyl-6-(1-propenyl)-2-(para-tolyl)perhydropyrrolo(3,4-C)pyrrole-1,3-dione (3A,4-trans-6,6A-cis)
ethyl (1R,3S,6aR)-2-methyl-5-(4-methylphenyl)-4,6-dioxo-1-[(E)-prop-1-enyl]-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate
dihydroxanthohumol
A member of the class of dihydrochalcones that is the alpha,beta-dihydro derivative of xanthohumol. Isolated from Humulus lupulus, it exhibits inhibition of NO production.
(S)-glaucine(1+)
An organic cation that is the conjugate acid of (R)-glaucine, obtained by protonation of the tertiary amino group; major species at pH 7.3.
S-adenosylmethioninaminium
Conjugate acid of S-adenosylmethioninamine arising from protonation of the primary amino group.
3’-O-t-Bulyldimethylsilylthymidine
3’-O-t-Bulyldimethylsilylthymidine is a purine nucleoside analog. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc[1].
(3r)-3,8,9-trihydroxy-6-methoxy-3-methyl-7-(3-methylbut-2-en-1-yl)-2,4-dihydroanthracen-1-one
3-[5-(2,5-dihydroxyphenyl)-3-hydroxy-3-methylpent-4-en-1-yl]-6-hydroxy-2,4-dimethylbenzaldehyde
(2s,3s,4r)-4-(3,4-dimethoxyphenyl)-6-hydroxy-7-methoxy-2,3-dimethyl-3,4-dihydro-2h-naphthalen-1-one
(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 2-[(6r)-6-ethenyl-2,6-dimethylcyclohex-1-en-1-yl]acetate
(10r)-4,6-dimethoxy-2-oxatricyclo[13.2.2.1³,⁷]icosa-1(17),3(20),4,6,8,15,18-heptaene-5,10-diol
1-(2h-1,3-benzodioxol-5-yl)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutan-1-one
(12s)-4,6-dimethoxy-2-oxatricyclo[13.2.2.1³,⁷]icosa-1(17),3(20),4,6,8,15,18-heptaene-5,12-diol
(9s)-3,9-dihydroxy-16,17-dimethoxytricyclo[12.3.1.1²,⁶]nonadeca-1(17),2(19),3,5,14(18),15-hexaen-7-one
4-(4-hydroxy-3-methoxyphenyl)-6,7-dimethoxy-2,3-dimethyl-3,4-dihydro-2h-naphthalen-1-one
methyl (2r,3r,9r)-5-oxo-2,9-bis(prop-1-en-2-yl)-4,14-dioxatricyclo[9.2.1.1³,⁶]pentadeca-1(13),6(15),11-triene-12-carboxylate
2-(2h-1,3-benzodioxol-5-ylmethyl)-5-methoxy-3-methyl-3a-(prop-2-en-1-yl)-2,3,4,5-tetrahydro-1-benzofuran-6-one
5-[(2s,3r,4s,5s)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-2h-1,3-benzodioxole
3-methyl-5-(prop-2-en-1-yl)-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-6-ol
5-hydroxy-8-(6-oxo-2,3-dihydropyran-2-yl)-1-phenylocta-1,7-dien-3-yl acetate
(2s,3s,3ar)-2-(3,4-dimethoxyphenyl)-3a-methoxy-3-methyl-5-(prop-2-en-1-yl)-2,3-dihydro-1-benzofuran-6-one
4-(3,4-dimethoxyphenyl)-7-hydroxy-6-methoxy-2,3-dimethyl-3,4-dihydro-2h-naphthalen-1-one
5-[(2r,3r,4r,5r)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-2h-1,3-benzodioxole
methyl 2-[(1s,2s,3s,4ar,5r,8r,8as)-3-(acetyloxy)-1,5,8-trihydroxy-4a,8-dimethyl-octahydronaphthalen-2-yl]prop-2-enoate
9-hexanoyl-6a-methyl-3-[(1e)-prop-1-en-1-yl]-9h,9ah-furo[2,3-h]isochromene-6,8-dione
22-methoxy-4,7,17,19-tetraazahexacyclo[15.8.0.0¹,⁵.0⁶,¹⁴.0⁸,¹³.0²⁰,²⁵]pentacosa-4,6(14),8,10,12,18,20,22,24-nonaene
(11s,12s,17s)-12-[(1s)-1-hydroxyethyl]-10-(methoxycarbonyl)-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadeca-2,4,6,9-tetraen-14-ium-14-olate
methyl 3-(furan-3-yl)-4a-methyl-10-methylidene-1-oxo-3h,4h,5h,11h,12h,12ah-cyclodeca[c]pyran-9-carboxylate
methyl (1r,2s,7r,13r)-9-(furan-3-yl)-2,7,13-trimethyl-4-oxo-10-oxatricyclo[5.3.3.0¹,⁶]trideca-5,8-diene-2-carboxylate
(3s,3ar,9ar)-3-hexanoyl-9a-methyl-6-[(1e)-prop-1-en-1-yl]-3h,3ah-furo[3,2-g]isochromene-2,9-dione
4-(dodec-11-en-1-yl)-3-hydroxy-5-oxooxolane-2,3-dicarboxylic acid
3,8,9-trihydroxy-6-methoxy-3-methyl-7-(3-methylbut-1-en-1-yl)-2,4-dihydroanthracen-1-one
5-[(2r,3s,4s,5s)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-2h-1,3-benzodioxole
3-hexanoyl-9a-methyl-6-(prop-1-en-1-yl)-3h,3ah-furo[3,2-g]isochromene-2,9-dione
17-methyl-9,12-dioxo-15-oxapentacyclo[12.6.0.0¹,⁶.0²,¹⁸.0⁸,¹³]icosa-8(13),10-diene-5-carboxylic acid
(2e)-3-[(2s,3s)-2-(3,4-dimethoxyphenyl)-7-methoxy-3-methyl-2,3-dihydro-1-benzofuran-5-yl]prop-2-en-1-ol
3,8,9-trihydroxy-6-methoxy-3-methyl-7-(3-methylbut-2-en-1-yl)-2,4-dihydroanthracen-1-one
(3s)-3,8,9-trihydroxy-6-methoxy-3-methyl-7-[(1e)-3-methylbut-1-en-1-yl]-2,4-dihydroanthracen-1-one
[(5r,6s)-6-hydroxy-9-methoxy-3,5-dimethyl-5h,6h-naphtho[2,3-b]furan-4-yl]methyl (2z)-2-methylbut-2-enoate
10-hydroxy-7-methoxy-3-[(2r,4s)-4-methylhexan-2-yl]-1h-cyclohexa[g]isochromene-8,9-dione
(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 2-[(6s)-6-ethenyl-2,6-dimethylcyclohex-1-en-1-yl]acetate
3-(4-hydroxy-3-methoxyphenyl)-7,8,10-trimethyl-2,6-dioxatricyclo[7.3.1.0⁵,¹³]trideca-1(13),9,11-trien-11-ol
11-Hydroxyrankinidine
{"Ingredient_id": "HBIN000452","Ingredient_name": "11-Hydroxyrankinidine","Alias": "Spiro(3H-indole-3,8'(7'H)-(4,7)methanooxepino(4,3-b)pyridin)-2(1H)-one, 3'-ethylidene-1',2',3',4',4'a,5',9',9'a-octahydro-6-hydroxy-1-methoxy-, (3S,3'Z,4'R,4'aS,7'R,9'aS)-; Humantenine, 4-demethyl-11-hydroxy-; 11-hydroxyrankinidine; (3'Z)-3'-ethylidene-6-hydroxy-1-methoxy-1',2',3',4',4a',5',9',9a'-octahydro-7'H-spiro[indole-3,8'-[4,7]methanooxepino[4,3-b]pyridin]-2(1H)-one; 122590-03-8; (7'Z)-7'-ETHYLIDENE-6-HYDROXY-1-METHOXY-11'-OXA-5'-AZASPIRO[INDOLE-3,2'-TRICYCLO[6.3.1.0?,?]DODECANE]-2-ONE; (7'Z)-7'-ETHYLIDENE-6-HYDROXY-1-METHOXY-11'-OXA-5'-AZASPIRO[INDOLE-3,2'-TRICYCLO[6.3.1.0?,?]DODECAN]-2-ONE; 9477AF; Nb-Demethyl-11-hydroxyhumantenine; BG01070136","Ingredient_formula": "C20H24N2O4","Ingredient_Smile": "CC=C1CNC2CC3(C4CC1C2CO4)C5=C(C=C(C=C5)O)N(C3=O)OC","Ingredient_weight": "356.4 g/mol","OB_score": "40.002764","CAS_id": "122590-03-8?","SymMap_id": "SMIT01195","TCMID_id": "10670","TCMSP_id": "MOL008411","TCM_ID_id": "NA","PubChem_id": "137705913","DrugBank_id": "NA"}
14-acetoxy-12-senecioyloxy-2,8,10-tetradecatriene-4,6-diyn-1-ol
{"Ingredient_id": "HBIN001348","Ingredient_name": "14-acetoxy-12-senecioyloxy-2,8,10-tetradecatriene-4,6-diyn-1-ol","Alias": "NA","Ingredient_formula": "C21H24O5","Ingredient_Smile": "NA","Ingredient_weight": "356.41","OB_score": "NA","CAS_id": "113269-37-7","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9322","PubChem_id": "NA","DrugBank_id": "NA"}
14-acetyl-12-senecioyl-2E,8E,10E-atractylentriol
{"Ingredient_id": "HBIN001355","Ingredient_name": "14-acetyl-12-senecioyl-2E,8E,10E-atractylentriol","Alias": "NA","Ingredient_formula": "C21H24O5","Ingredient_Smile": "NA","Ingredient_weight": "356.41","OB_score": "60.3128707","CAS_id": "113269-37-7","SymMap_id": "SMIT02710","TCMID_id": "NA","TCMSP_id": "MOL000021","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
14-acetyl-12-senecioyl-2E,8Z,10E-atractylentriol
{"Ingredient_id": "HBIN001356","Ingredient_name": "14-acetyl-12-senecioyl-2E,8Z,10E-atractylentriol","Alias": "NA","Ingredient_formula": "C21H24O5","Ingredient_Smile": "NA","Ingredient_weight": "356.41","OB_score": "63.37091823","CAS_id": "113269-36-6","SymMap_id": "SMIT02711","TCMID_id": "NA","TCMSP_id": "MOL000022","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1,6-dihydro-1,3',4'-trimethoxy-6-oxo-4,7'-epoxy-3,8'-lignan
{"Ingredient_id": "HBIN001858","Ingredient_name": "1,6-dihydro-1,3',4'-trimethoxy-6-oxo-4,7'-epoxy-3,8'-lignan","Alias": "NA","Ingredient_formula": "C21H24O5","Ingredient_Smile": "NA","Ingredient_weight": "356.41","OB_score": "NA","CAS_id": "112456-79-8","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9490","PubChem_id": "NA","DrugBank_id": "NA"}
19-epi-scholaricine
{"Ingredient_id": "HBIN002183","Ingredient_name": "19-epi-scholaricine","Alias": "NA","Ingredient_formula": "C20H24N2O4","Ingredient_Smile": "CC(C1CN2CCC34C2CC1C(=C3NC5=C4C=CC=C5O)C(=O)OC)O","Ingredient_weight": "356.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "35066","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101587171","DrugBank_id": "NA"}
3',4,4',5-tetrahydroxy-2,7'-cyclolignan-7-one; (7's,8r,8's)-form,3',4,4'-tri-me ether
{"Ingredient_id": "HBIN007222","Ingredient_name": "3',4,4',5-tetrahydroxy-2,7'-cyclolignan-7-one; (7's,8r,8's)-form,3',4,4'-tri-me ether","Alias": "NA","Ingredient_formula": "C21H24O5","Ingredient_Smile": "NA","Ingredient_weight": "356.41","OB_score": "NA","CAS_id": "98619-26-2","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8353","PubChem_id": "NA","DrugBank_id": "NA"}
5-[(2S,3S,4R,5R)-5-(3,4-dimethoxyphenyl)-3,4-dimethyl-2-tetrahydrofuranyl]-1,3-benzodioxole
{"Ingredient_id": "HBIN010988","Ingredient_name": "5-[(2S,3S,4R,5R)-5-(3,4-dimethoxyphenyl)-3,4-dimethyl-2-tetrahydrofuranyl]-1,3-benzodioxole","Alias": "5-[(2S,3S,4R,5R)-5-(3,4-dimethoxyphenyl)-3,4-dimethyl-tetrahydrofuran-2-yl]-1,3-benzodioxole; 5-[(2S,3S,4R,5R)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-1,3-benzodioxole; 5-[(2S,3S,4R,5R)-5-(3,4-dimethoxyphenyl)-3,4-dimethyl-oxolan-2-yl]-1,3-benzodioxole","Ingredient_formula": "C21H24O5","Ingredient_Smile": "NA","Ingredient_weight": "356.41","OB_score": "60.1146053","CAS_id": "114422-19-4","SymMap_id": "SMIT12934","TCMID_id": "NA","TCMSP_id": "MOL012136","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6,7-seco-19,20-epoxyangustilobine b
{"Ingredient_id": "HBIN012100","Ingredient_name": "6,7-seco-19,20-epoxyangustilobine b","Alias": "NA","Ingredient_formula": "C20H24N2O4","Ingredient_Smile": "CN1CCC2C3(C1)C(O3)COCC2(C4=CC5=CC=CC=C5N4)C(=O)OC","Ingredient_weight": "356.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "19597","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101636548","DrugBank_id": "NA"}
7-hydroxy-11,16-dioxo-8,14-apianadien-20,6-olide; (6β,7α)-form
{"Ingredient_id": "HBIN013198","Ingredient_name": "7-hydroxy-11,16-dioxo-8,14-apianadien-20,6-olide; (6\u03b2,7\u03b1)-form","Alias": "NA","Ingredient_formula": "C21H24O5","Ingredient_Smile": "NA","Ingredient_weight": "356.41","OB_score": "NA","CAS_id": "213907-86-9","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7458","PubChem_id": "NA","DrugBank_id": "NA"}
