Exact Mass: 415.12567920000004
Exact Mass Matches: 415.12567920000004
Found 351 metabolites which its exact mass value is equals to given mass value 415.12567920000004
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Cephalosporin C
C16H21N3O8S (415.10493060000005)
Cephalosporin C is an antibiotic of the cephalosporin class. It was isolated from fungi of the genus Acremonium and first characterized in 1961. Although not a very active antibiotic itself, synthetic analogs of cephalosporin C, such as cefalotin, became some of the first marketed cephalosporin antibiotic drugs. (Wikipedia) D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
N6-(delta2-isopentenyl)-adenosine 5'-monophosphate
C15H22N5O7P (415.12567920000004)
N6-(delta2-isopentenyl)-adenosine 5-monophosphate, also known as n6-(dimethylallyl)adenosine 5-phosphate or isopentenyl-amp, is a member of the class of compounds known as purine ribonucleoside monophosphates. Purine ribonucleoside monophosphates are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached. N6-(delta2-isopentenyl)-adenosine 5-monophosphate is slightly soluble (in water) and a moderately acidic compound (based on its pKa). N6-(delta2-isopentenyl)-adenosine 5-monophosphate can be found in a number of food items such as arctic blackberry, japanese pumpkin, lichee, and acorn, which makes n6-(delta2-isopentenyl)-adenosine 5-monophosphate a potential biomarker for the consumption of these food products. N6-(Δ2-isopentenyl)-adenosine 5-monophosphate, also known as n6-(dimethylallyl)adenosine 5-phosphate or isopentenyl-amp, is a member of the class of compounds known as purine ribonucleoside monophosphates. Purine ribonucleoside monophosphates are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached. N6-(Δ2-isopentenyl)-adenosine 5-monophosphate is slightly soluble (in water) and a moderately acidic compound (based on its pKa). N6-(Δ2-isopentenyl)-adenosine 5-monophosphate can be found in a number of food items such as arctic blackberry, japanese pumpkin, lichee, and acorn, which makes n6-(Δ2-isopentenyl)-adenosine 5-monophosphate a potential biomarker for the consumption of these food products. D006133 - Growth Substances > D010937 - Plant Growth Regulators > D003583 - Cytokinins
Chlorobiocic acid
C21H18ClNO6 (415.08225980000003)
D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D004791 - Enzyme Inhibitors
Cylindrospermopsin
C15H21N5O7S (415.11616360000005)
A triazaacenaphthylene that is 2,2a,3,4,5,5a,6,7-octahydro-1H-1,8,8b-triazaacenaphthylene which is substituted at positions 3, 4, and 7 by methyl, sulfooxy, and (2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)(hydroxy)methyl groups, respectively (the 2aS,3R,4S,5aS,7R stereoisomer in which the carbon bearing the hydroxy group has R configuration). It is a cyanotoxin produced by several species of freshwater cyanobacteria, such as Aphanizomenon ovalisporum.
Validoxylamine A 7-phosphate
C14H26NO11P (415.12434160000004)
A cyclitol phosphate that is validoxylamine A carrying a single monophosphate substituent at position 7.
Tenalisib
C23H18FN5O2 (415.14444599999996)
C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2152 - Phosphatidylinositide 3-Kinase Inhibitor C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor D004791 - Enzyme Inhibitors > D000081082 - Phosphoinositide-3 Kinase Inhibitors C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor
I-BET151
C23H21N5O3 (415.16443160000006)
Margrapine B
Margrapine B is found in citrus. Margrapine B is from roots of Marsh grapefruit (Citrus paradisi
6-Heptenyl glucosinolate
6-Heptenyl glucosinolate is found in brassicas. 6-Heptenyl glucosinolate is present in Japanese horseradish (Wasabia japonica). Present in Japanese horseradish (Wasabia japonica). 6-Heptenyl glucosinolate is found in brassicas and wasabi.
Epicylindrospermopsin
C15H21N5O7S (415.11616360000005)
Acemetacin
C21H18ClNO6 (415.08225980000003)
M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AB - Acetic acid derivatives and related substances C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
Arhalofenate
C19H17ClF3NO4 (415.07981480000007)
Eleclazine
C21H16F3N3O3 (415.11437020000005)
C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent
Idelalisib
C22H18FN7O (415.15567899999996)
Quisultazine
C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29702 - Histamine-2 Receptor Antagonist
Sabeluzole
C22H26FN3O2S (415.17296680000004)
C26170 - Protective Agent > C1509 - Neuroprotective Agent
N-(1,2,3-trimethoxy-10-(methylthio)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide
C22H25NO5S (415.14533600000004)
acemetacin
C21H18ClNO6 (415.08225980000003)
M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AB - Acetic acid derivatives and related substances C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents CONFIDENCE standard compound; INTERNAL_ID 2151 INTERNAL_ID 2151; CONFIDENCE standard compound CONFIDENCE standard compound; EAWAG_UCHEM_ID 3122 EAWAG_UCHEM_ID 3122; CONFIDENCE standard compound
3-(5-Hydroxy-1H-indole-3-yl)-4-(1H-indole-3-yl)-1H-pyrrole-2,5-dicarboxylic acid 2-methyl ester
6-C-[(2S,5S)-prolin-5-yl]quercetin|prolinalin A
C20H17NO9 (415.09032720000005)
3-(1H-Indole-3-yl)-4-(5-hydroxy-1H-indole-3-yl)-1H-pyrrole-2,5-dicarboxylic acid 2-methyl ester
(+)-macrantoridine|2,3-dimethoxy-6-((R or S)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-ylmethyl)-benzoic acid|Macrantoridin|Macrantoridine
Angoline hydrochloride
C22H22ClNO5 (415.11864320000007)
Kasugamycin Hydrochloride
C14H26ClN3O9 (415.13574960000005)
Kasugamycin hydrochloride (Ksg hydrochloride) is an antibiotic which binds both the 30S and 70S ribosome but not isolated 50S subunits. Kasugamycin hydrochloride (Ksg hydrochloride) mimics mRNA nucleotides to destabilize tRNA binding and inhibit canonical translation initiation[1][2].
Cephalosporin C
C16H21N3O8S (415.10493060000005)
A cephalosporin antibiotic carrying a 3-acetoxymethyl substituent and a 6-oxo-N(6)-L-lysino group at position 7. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
Ala Asp Asn Pro
Ala Asp Pro Asn
Ala Asn Asp Pro
Ala Asn Pro Asp
Ala Pro Asp Asn
Ala Pro Asn Asp
Asp Ala Asn Pro
Asp Ala Pro Asn
Asp Gly Pro Gln
Asp Gly Gln Pro
Asp Asn Ala Pro
Asp Asn Pro Ala
Asp Pro Ala Asn
Asp Pro Gly Gln
Asp Pro Asn Ala
Asp Pro Gln Gly
Asp Gln Gly Pro
Asp Gln Pro Gly
Glu Gly Asn Pro
Glu Gly Pro Asn
Glu Asn Gly Pro
Glu Asn Pro Gly
Glu Pro Gly Asn
Glu Pro Asn Gly
Gly Asp Pro Gln
Gly Asp Gln Pro
Gly Glu Asn Pro
Gly Glu Pro Asn
Gly Asn Glu Pro
Gly Asn Pro Glu
Gly Pro Asp Gln
Gly Pro Glu Asn
Gly Pro Asn Glu
Gly Pro Gln Asp
Gly Gln Asp Pro
Gly Gln Pro Asp
Asn Ala Asp Pro
Asn Ala Pro Asp
Asn Asp Ala Pro
Asn Asp Pro Ala
Asn Glu Gly Pro
Asn Glu Pro Gly
Asn Gly Glu Pro
Asn Gly Pro Glu
Asn Pro Ala Asp
Asn Pro Asp Ala
Asn Pro Glu Gly
Asn Pro Gly Glu
Pro Ala Asp Asn
Pro Ala Asn Asp
Pro Asp Ala Asn
Pro Asp Gly Gln
Pro Asp Asn Ala
Pro Asp Gln Gly
Pro Glu Gly Asn
Pro Glu Asn Gly
Pro Gly Asp Gln
Pro Gly Glu Asn
Pro Gly Asn Glu
Pro Gly Gln Asp
Pro Asn Ala Asp
Pro Asn Asp Ala
Pro Asn Glu Gly
Pro Asn Gly Glu
Pro Gln Asp Gly
Pro Gln Gly Asp
Gln Asp Gly Pro
Gln Asp Pro Gly
Gln Gly Asp Pro
Gln Gly Pro Asp
Gln Pro Asp Gly
Gln Pro Gly Asp
Margrapine B
6-Heptenyl glucosinolate
16-carboxy-17,18,19,20-tetranor-leukotriene E3
C19H29NO7S (415.16646440000005)
An icosanoid that is leukotriene E4 in which the non-conjugated double bond has been reduced to a single bond and four methylene groups have been lost from the resulting carboxyalkyl chain.
HALOFENATE
C19H17ClF3NO4 (415.07981480000007)
D018501 - Antirheumatic Agents > D006074 - Gout Suppressants > D014528 - Uricosuric Agents C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents C26170 - Protective Agent > C921 - Uricosuric Agent D009676 - Noxae > D000963 - Antimetabolites
((((2-(6-AMINO-9H-PURIN-9-YL)ETHOXY)METHYL)(ETHOXY)PHOSPHORYL)OXY)METHYL PIVALATE
4-n-fmoc-amino-4-carboxy-1,1-dioxa-tetrahydrothiopyran
C21H21NO6S (415.10895260000007)
Thiazolidine, 2-(2,5-dimethoxyphenyl)-3-(1-naphthalenylsulfonyl)- (9CI)
C21H21NO4S2 (415.09119460000005)
N-Methyl-N-(3-[((N-tert-butoxycarbonyl-N-methylamino)acetoxy)methyl]pyridin-2-yl)carbamic acid 1-chloroethyl ester
methyl N-[4-[(2-chloro-4-nitrophenyl)azo]phenyl]-N-(2-cyanoethyl)-beta-alaninate
C19H18ClN5O4 (415.10472580000004)
Thiazolidine, 2-(3,4-dimethoxyphenyl)-3-(1-naphthalenylsulfonyl)- (9CI)
C21H21NO4S2 (415.09119460000005)
CAL-101
C22H18FN7O (415.15567899999996)
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors > L01EM - Phosphatidylinositol-3-kinase (pi3k) inhibitors C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2152 - Phosphatidylinositide 3-Kinase Inhibitor C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors
N-(2-Chloroethyl)-N-[2-[(3,4-dimethoxyphenyl)thio]-1-methylethyl]benzenemethanamine hydrochloride
C20H27Cl2NO2S (415.11394620000004)
TERT-BUTYL 4-(2-((METHYLSULFONYL)OXY)ETHYL)-4-(((METHYLSULFONYL)OXY)METHYL)PIPERIDINE-1-CARBOXYLATE
1,3-dimethyl-5-[6-(phenylthio)benz[cd]indol-2(1H)-ylidene]barbituric acid
C23H17N3O3S (415.09905720000006)
Donetidine
C20H25N5O3S (415.16780200000005)
C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29702 - Histamine-2 Receptor Antagonist
N-[(10-Oxido-9,10-dihydro-9-oxa-10-phosphaphenanthrene)methyl]-6-phenyl-1,3,5-triazine-2,4-diamine
1,2:5,6-Di-O-isopropyliden-3-toluol-p-sulfonat-α-D-allofuranose-3-d
C19H25DO8S (415.14110877800005)
Arhalofenate
C19H17ClF3NO4 (415.07981480000007)
C26170 - Protective Agent > C921 - Uricosuric Agent
1-[2-Nitro-4-(trifluoromethylsulfonyl)phenyl]-4-phenylpiperazine
C17H16F3N3O4S (415.08135720000007)
5-[[4-(2-Amino-2-oxoethoxy)-3-methoxyphenyl]methylamino]-2-(4-morpholinyl)benzoic acid
N-(3-methylphenyl)-4-(4-nitrophenyl)-2-phenyl-5-thiazolecarboxamide
C23H17N3O3S (415.09905720000006)
N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3,4,5-trimethoxybenzamide
C20H21N3O5S (415.12018560000007)
3-(benzenesulfonyl)-N-(3-methylphenyl)-5-triazolo[1,5-a]quinazolinamine
2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-[(4-methylphenyl)methyl]benzamide
C20H18ClN3O3S (415.0757348000001)
8-(2-Chloro-3,4,5-trimethoxy-benzyl)-9-pent-4-ylnyl-9H-purin-6-ylamine
C20H22ClN5O3 (415.1411092000001)
Eleclazine
C21H16F3N3O3 (415.11437020000005)
C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent
Sabeluzole
C22H26FN3O2S (415.17296680000004)
C26170 - Protective Agent > C1509 - Neuroprotective Agent
[(4S,5R,6S,8S,10R)-10-[(S)-(2,4-Dioxo-1H-pyrimidin-6-yl)-hydroxymethyl]-5-methyl-2,11-diaza-12-azoniatricyclo[6.3.1.04,12]dodec-1(12)-en-6-yl] sulfate
C15H21N5O7S (415.11616360000005)
(2aS,3R,4S,5aS,7R)-7-[(R)-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)(hydroxy)methyl]-3-methyl-2,2a,3,4,5,5a,6,7-octahydro-1H-8,8b-diaza-1-azoniaacenaphthylen-4-yl sulfate
C15H21N5O7S (415.11616360000005)
(6R,7R)-7-[[(5R)-5-azaniumyl-5-carboxylatopentanoyl]amino]-3-(carbamoyloxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
C15H19N4O8S- (415.09235540000003)
Ala-Asn-Asp-Pro
A tetrapeptide composed of L-alanyl, L-asparagyl, L-aspartyl, and L-proline residues joined in sequence.
2-(2-methoxyphenyl)-N-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
C24H21N3O4 (415.15319860000005)
2-hydroxy-1-(2-methylpropyl)-4-oxo-N-(2-sulfamoylphenyl)quinoline-3-carboxamide
C20H21N3O5S (415.12018560000007)
[5-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-2-furanyl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
C16H16F3N5O5 (415.11034820000003)
2-[(chloroacetyl)(4-methoxyphenyl)amino]-N-cyclohexyl-2-pyridin-3-ylacetamide
C22H26ClN3O3 (415.1662596000001)
1-[3-[(7-Cyano-[1,3]dioxolo[4,5-g]quinolin-6-yl)amino]propyl]-3-(3-ethoxypropyl)thiourea
C20H25N5O3S (415.16780200000005)
1-[4-(Diethylsulfamoyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
C18H20F3N3O3S (415.11774060000005)
3-methyl-5-(4-morpholinylsulfonyl)-N-(2-pyridinylmethyl)-2-benzofurancarboxamide
C20H21N3O5S (415.12018560000007)
powelline Trifluoroacetic acid
C19H20F3NO6 (415.12426560000006)
A natural product found in Crinum asiaticum var. sinicum.
4-[2-[[1-(2-methoxyethyl)-2-benzimidazolyl]thio]-1-oxoethyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester
C21H25N3O4S (415.15656900000005)
2-(2,4-dimethoxyphenyl)-N-[1-(2-furyl)ethylidene]-4-quinolinecarbohydrazide
C24H21N3O4 (415.15319860000005)
2-[9-(3-chloro-4-methoxyphenyl)-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-10-yl]acetic acid
C22H22ClNO5 (415.11864320000007)
4-[(2,4-Dimethoxyanilino)methylidene]-2-(6-methyl-2-pyridinyl)isoquinoline-1,3-dione
C24H21N3O4 (415.15319860000005)
5-Carbamoyl-4-methyl-2-[[1-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester
C21H25N3O4S (415.15656900000005)
7-Chloro-4-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]quinoline
C21H22ClN3O2S (415.11211820000005)
isopropyl 4-({5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoyl}amino)benzoate
C21H22ClN3O4 (415.12987620000007)
2-(2,5-Dioxo-1-m-tolyl-pyrrolidin-3-yl)-1,3-diphenyl-isothiourea
C24H21N3O2S (415.13544060000004)
N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3,5-dinitrobenzamide
C18H17N5O5S (415.09503520000004)
2-Methyl-1-phenyl-5-benzimidazolecarboxylic acid [2-(2-methoxyanilino)-2-oxoethyl] ester
C24H21N3O4 (415.15319860000005)
2-[[2-Methyl-5-(3-methyl-4-oxo-1-phthalazinyl)phenyl]sulfonylamino]acetic acid ethyl ester
C20H21N3O5S (415.12018560000007)
5-(2,5-dichlorophenyl)-N-[2,6-di(propan-2-yl)phenyl]-2-furancarboxamide
1-(1,3-Benzodioxol-5-ylmethyl)-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-2-indolone
C25H21NO5 (415.14196560000005)
N-(2-tert-butylphenyl)-2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide
N-{[8-(benzyloxy)-2-quinolinyl]methylene}-4-chlorobenzohydrazide
9H-xanthene-9-carboxylic acid [2-[(1,1-dioxo-3-thiolanyl)-methylamino]-2-oxoethyl] ester
C21H21NO6S (415.10895260000007)
1-Cyclopropyl-3-[6-oxo-5-(phenylmethyl)-3-benzo[b][1,4]benzothiazepinyl]urea
C24H21N3O2S (415.13544060000004)
Ethyl 4-(sec-butyl{[(3,4-dichlorophenyl)amino]carbonyl}amino)piperidine-1-carboxylate
N-(3,4-dimethylisoxazol-5-yl)-4-{[(1E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]amino}benzenesulfonamide
C20H18FN3O4S (415.10020000000003)
methyl 1-(2,4-difluorophenyl)-5-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]pyrazole-4-carboxylate
C19H15F2N5O2S (415.09144740000005)
N-(4-{[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonyl}phenyl)acetamide
N-[3,5-bis(trifluoromethyl)phenyl]-2-cyclopentyl-2-phenylacetamide
C21H19F6NO (415.13707560000006)
[(8R,9R,10R)-9-(4-bromophenyl)-6-(2-pyridinylmethyl)-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
C21H26BrN3O (415.12591260000005)
[(8R,9S,10R)-9-(4-bromophenyl)-6-(2-pyridinylmethyl)-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
C21H26BrN3O (415.12591260000005)
[(8R,9S,10S)-9-(4-bromophenyl)-6-(2-pyridinylmethyl)-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
C21H26BrN3O (415.12591260000005)
[(8S,9R,10S)-9-(4-bromophenyl)-6-(2-pyridinylmethyl)-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
C21H26BrN3O (415.12591260000005)
[(8S,9S,10R)-9-(4-bromophenyl)-6-(2-pyridinylmethyl)-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
C21H26BrN3O (415.12591260000005)
[(8R,9R,10S)-9-(4-bromophenyl)-6-(2-pyridinylmethyl)-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
C21H26BrN3O (415.12591260000005)
[(8S,9R,10R)-9-(4-bromophenyl)-6-(2-pyridinylmethyl)-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
C21H26BrN3O (415.12591260000005)
[(8S,9S,10S)-9-(4-bromophenyl)-6-(2-pyridinylmethyl)-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
C21H26BrN3O (415.12591260000005)
5-[[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-methoxyphenoxy]methyl]furan-2-carboxylic acid
(1S,17S,19S)-16,16-dimethyl-14-oxido-7,10,23,25-tetraza-14-azoniaheptacyclo[17.5.2.01,17.03,15.04,13.06,11.019,23]hexacosa-2,4,6,8,10,12,14-heptaene-24,26-dione
C23H21N5O3 (415.16443160000006)
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] (E)-but-2-enoate
(2S)-2-[1,4-Bis(methylsulfonyloxy)butyl]-1-pyrrolidinecarboxylic acid tert-butyl ester
N(6)-(dimethylallyl)adenosine 5-monophosphate
C15H22N5O7P (415.12567920000004)
D006133 - Growth Substances > D010937 - Plant Growth Regulators > D003583 - Cytokinins
cylindrospermopsin zwitterion
C15H21N5O7S (415.11616360000005)
A zwitterion resulting from the transfer of a proton from the sulfooxy group to one of the nitrogens of the guanidine group of cylindrospermopsin.
2-(glutathion-S-yl)-1,4-hydroquinone
C16H21N3O8S (415.10493060000005)
A glutathione conjugate in which the thiol hydrogen of glutathione has been replaced by a 2,5-dihydroxyphenyl group.
(-)-noscapine hemiacetal
A lactol that is (-)-noscapine [which is also known as (-)-alpha-narcotine] in which the carbonyl group of the lactone moiety has been reduced to give the corresponding lactol. It is the biosynthetic precursor of (-)-noscapine.
7-epi-Cylindrospermopsin
C15H21N5O7S (415.11616360000005)
A triazaacenaphthylene that is 2,2a,3,4,5,5a,6,7-octahydro-1H-1,8,8b-triazaacenaphthylene which is substituted at positions 3, 4, and 7 by methyl, sulfooxy, and (2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)(hydroxy)methyl groups, respectively (the 2aS,3R,4S,5aS,7R stereoisomer in which the carbon bearing the hydroxy group has S configuration). It is a cyanotoxin produced by several species of freshwater cyanobacteria, such as Aphanizomenon ovalisporum.
7-TFA-ap-7-Deaza-dG
C16H16F3N5O5 (415.11034820000003)
5'-O-TBDMS-dG is a modified nucleoside. 5'-O-DMT-2'-O-TBDMS-rI can be used in the synthesis of deoxyribonucleic acid or nucleic acid. 7-TFA-ap-7-Deaza-dG is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
ACSS2-IN-2
C21H19F2N3O4 (415.13435580000004)
ACSS2-IN-2 is an acyl-CoA synthetase short-chain family member 2 (ACSS2) inhibitor. ACSS2-IN-2 can inhibit ACSS2 activity with an IC50 value of 3.8 nM. ACSS2-IN-2 can be used for the research of several diseases, such as viral infection, metabolic disorders, neuropsychiatric diseases, inflammatory/autoimmune conditions and cancer[1].
BAY-179
C23H21N5OS (415.14667360000004)
BAY-179 is a potent, selective, and species cross-reactive complex I inhibitor (IC50=79 μM)[1].
Cjoc42
C20H21N3O5S (415.12018560000007)
Cjoc42 is a compound capable of binding to gankyrin. Cjoc42 inhibits gankyrin activity in a dose-dependent manner. Cjoc42 prevents the decrease in p53 protein levels normally associated with high amounts of gankyrin. Cjoc42 restores p53-dependent transcription and sensitivity to DNA damage[1].
ML348
C18H17ClF3N3O3 (415.09104780000007)
ML348 (GNF-Pf-1127) is a selective and reversible acyl-protein thioesterase 1 (APT1)/lysophospholipase 1 (LYPLA1) inhibitor with an IC50 of 210 nM, and barely inhibits LYPLA2[1].
Z62954982
C20H21N3O5S (415.12018560000007)
Z62954982 (ZINC08010136) is a potent, selective and?cell-permeable Rac1 (IC50=12 μM) inhibitor that is 4 times more effective than NSC23766 (HY-15723A) (IC50=50 μM). Z62954982?disrupts the Rac1/Tiam1 complex and decreases cytoplasmic levels of active Rac1 (GTP-bound Rac1), without affecting the activity of other Rho GTPases (such as Cdc42 or RhoA)[1][2].
(3r)-3-[(1s)-2-[(1s,4ar,6r,7r,8ar)-6,7-dichloro-5,5,8a-trimethyl-2-methylidene-4-oxo-hexahydronaphthalen-1-yl]-1-hydroxyethyl]-5-hydroxy-3,4-dihydropyrrol-2-one
C20H27Cl2NO4 (415.13170420000006)
(6s,7s)-3-[(acetyloxy)methyl]-7-[(5-amino-5-carboxy-1-hydroxypentylidene)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
C16H21N3O8S (415.10493060000005)
n-[5-hydroxy-13,14,15-trimethoxy-4-(methoxycarbonyl)tricyclo[9.4.0.0²,⁷]pentadeca-1(15),2(7),3,5,11,13-hexaen-8-yl]ethanimidic acid
2-({[(2s,3r,4s,5r,6r)-3,5-dihydroxy-6-(hydroxymethyl)-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-1-methyl-1-oxohydrazinium
3-[2-(6,7-dichloro-5,5,8a-trimethyl-2-methylidene-4-oxo-hexahydronaphthalen-1-yl)-1-hydroxyethyl]-5-hydroxy-3,4-dihydropyrrol-2-one
C20H27Cl2NO4 (415.13170420000006)
[(4s,5r,6s,8s,10r)-10-[(r)-hydroxy(2-hydroxy-6-oxo-1h-pyrimidin-4-yl)methyl]-5-methyl-2,11,12-triazatricyclo[6.3.1.0⁴,¹²]dodec-1-en-6-yl]oxidanesulfonic acid
C15H21N5O7S (415.11616360000005)
bisindolylpyrrole cpb-53-594-4
{"Ingredient_id": "HBIN018625","Ingredient_name": "bisindolylpyrrole cpb-53-594-4","Alias": "NA","Ingredient_formula": "C23H17N3O5","Ingredient_Smile": "COC(=O)C1=C(C(=C(N1)C(=O)O)C2=CNC3=CC=CC=C32)C4=CNC5=C4C=C(C=C5)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2474","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
bisindolylpyrrole cpb-53-594-5
{"Ingredient_id": "HBIN018626","Ingredient_name": "bisindolylpyrrole cpb-53-594-5","Alias": "NA","Ingredient_formula": "C23H17N3O5","Ingredient_Smile": "COC(=O)C1=C(C(=C(N1)C(=O)O)C2=CNC3=C2C=C(C=C3)O)C4=CNC5=CC=CC=C54","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2475","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxochromen-6-yl]pyrrolidine-2-carboxylic acid
C20H17NO9 (415.09032720000005)
3-[2-(6,7-dichloro-2,5,5,8a-tetramethyl-4-oxo-4a,6,7,8-tetrahydro-1h-naphthalen-1-yl)-1-hydroxyethyl]-5-hydroxy-3,4-dihydropyrrol-2-one
C20H27Cl2NO4 (415.13170420000006)
10-ethenyl-11-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-12-oxa-6-thia-3-azatricyclo[7.4.0.0³,⁷]tridec-1(13)-en-2-one
12-hydroxy-9-methoxy-10,22-dimethyl-4,17-dioxa-2,14,22-triazaheptacyclo[11.10.0.0²,⁶.0³,²¹.0⁷,¹².0¹⁴,¹⁸.0¹⁹,²³]tricosa-6,9-diene-8,11-dione
(4ar,12ar)-1,4a,10,11,12a-pentahydroxy-8-methoxy-3,12-dioxo-4,5-dihydrotetracene-2-carboximidic acid
C20H17NO9 (415.09032720000005)
(7s,9s,10r,11s)-10-ethenyl-11-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-12-oxa-6-thia-3-azatricyclo[7.4.0.0³,⁷]tridec-1(13)-en-2-one
(2s,5r)-5-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxochromen-6-yl]pyrrolidine-2-carboxylic acid
C20H17NO9 (415.09032720000005)
(3r)-3-[(1s)-2-[(1s,4ar,6r,7r,8ar)-6,7-dichloro-2,5,5,8a-tetramethyl-4-oxo-4a,6,7,8-tetrahydro-1h-naphthalen-1-yl]-1-hydroxyethyl]-5-hydroxy-3,4-dihydropyrrol-2-one
C20H27Cl2NO4 (415.13170420000006)
(5r)-5-hydroxy-5-[(2r,3s)-4-hydroxy-7-methoxy-2,3,8-trimethyl-6,9-dioxo-2h-naphtho[1,2-b]furan-3-yl]-2-methylpent-2-enimidic acid
(2s,5s)-5-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxochromen-6-yl]pyrrolidine-2-carboxylic acid
C20H17NO9 (415.09032720000005)
(2s)-1-[(2s)-2-{[(2s)-2-{[(2s)-2-amino-1-hydroxypropylidene]amino}-1-hydroxy-3-(c-hydroxycarbonimidoyl)propylidene]amino}-3-carboxypropanoyl]pyrrolidine-2-carboxylic acid
(3'ar,6'as)-2'-hydroxy-3,5-dimethoxy-3'a-[(4-methoxyphenyl)methyl]-6'a-(methylamino)-3',6'-dihydrospiro[cyclohexane-1,5'-furo[2,3-d]imidazole]-2,5-dien-4-one
n-[(10r)-3,4,5,14-tetramethoxy-13-oxotricyclo[9.5.0.0²,⁷]hexadeca-1(16),2,4,6,11,14-hexaen-10-yl]methoxycarboximidic acid
[(2s,3r,4s,5s)-3,4-dihydroxy-5-{6-[(3-methylbut-2-en-1-yl)amino]purin-9-yl}oxolan-2-yl]methoxyphosphonic acid
C15H22N5O7P (415.12567920000004)
6-(hydroxymethyl)-6,9a-dimethyl-3-oxo-1h,5h,5ah,7h,8h,9h,9bh-naphtho[1,2-c]furan-5-yl 4-nitrobenzoate
3-(5-hydroxy-1h-indol-3-yl)-4-(1h-indol-3-yl)-5-(methoxycarbonyl)-1h-pyrrole-2-carboxylic acid
1-methyl-1-oxo-2-({[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)hydrazinium
(3r,3's)-3'-methoxy-1,3'-dimethyl-2'-[(1e)-2-phenylethenyl]spiro[indole-3,6'-pyrrolo[1,2-c]imidazole]-1',2,5'-trione
C24H21N3O4 (415.15319860000005)
[(4s,5r,6s,8s,10r)-10-[(s)-(2,6-dihydroxypyrimidin-4-yl)(hydroxy)methyl]-5-methyl-2,11,12-triazatricyclo[6.3.1.0⁴,¹²]dodec-1-en-6-yl]oxidanesulfonic acid
C15H21N5O7S (415.11616360000005)
5-(2-{6-[2-(dimethylamino)ethyl]-2h-1,3-benzodioxol-5-yl}-1,2-dihydroxyethenyl)-2h-1,3-benzodioxole-4-carboxylic acid
2,3-dimethoxy-6-{[(5s)-4-methoxy-6-methyl-2h,5h,7h,8h-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methyl}benzoic acid
5-(2-{2-[2-(dimethylamino)ethyl]-4,5-dimethoxyphenyl}acetyl)-2h-1,3-benzodioxole-4-carboxylic acid
4-(5-hydroxy-1h-indol-3-yl)-3-(1h-indol-3-yl)-5-(methoxycarbonyl)-1h-pyrrole-2-carboxylic acid
[(5r,5ar,6s,9ar,9br)-5-hydroxy-6,9a-dimethyl-3-oxo-1h,5h,5ah,7h,8h,9h,9bh-naphtho[1,2-c]furan-6-yl]methyl 4-nitrobenzoate
{5-hydroxy-6,9a-dimethyl-3-oxo-1h,5h,5ah,7h,8h,9h,9bh-naphtho[1,2-c]furan-6-yl}methyl 4-nitrobenzoate
1,4a,10,11,12a-pentahydroxy-8-methoxy-3,12-dioxo-4,5-dihydrotetracene-2-carboximidic acid
C20H17NO9 (415.09032720000005)
{10-[hydroxy(2-hydroxy-6-oxo-1h-pyrimidin-4-yl)methyl]-5-methyl-2,11,12-triazatricyclo[6.3.1.0⁴,¹²]dodec-1-en-6-yl}oxidanesulfonic acid
C15H21N5O7S (415.11616360000005)
5-hydroxy-5-{4-hydroxy-7-methoxy-2,3,8-trimethyl-6,9-dioxo-2h-naphtho[1,2-b]furan-3-yl}-2-methylpent-2-enimidic acid
(5r,5ar,6s,9ar,9br)-6-(hydroxymethyl)-6,9a-dimethyl-3-oxo-1h,5h,5ah,7h,8h,9h,9bh-naphtho[1,2-c]furan-5-yl 4-nitrobenzoate
(4as,12as)-1,4a,10,11,12a-pentahydroxy-8-methoxy-3,12-dioxo-4,5-dihydrotetracene-2-carboximidic acid
C20H17NO9 (415.09032720000005)
(7s,9s,10s,11s)-10-ethenyl-11-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-12-oxa-6-thia-3-azatricyclo[7.4.0.0³,⁷]tridec-1(13)-en-2-one
[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-5-(3-methylbut-3-en-1-yl)oxolan-2-yl]methoxyphosphonic acid
C15H22N5O7P (415.12567920000004)
16,18,19-trimethoxy-13-methyl-5,7,22-trioxa-13-azapentacyclo[12.8.0.0²,¹⁰.0⁴,⁸.0¹⁵,²⁰]docosa-2,4(8),9,15,17,19-hexaen-21-ol
6-[(s)-hydroxy[(5r)-4-methoxy-6-methyl-2h,5h,7h,8h-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methyl]-2,3-dimethoxybenzaldehyde
(1r,3r,12s,13s,18s,19s,21r,23r)-12-hydroxy-9-methoxy-10,22-dimethyl-4,17-dioxa-2,14,22-triazaheptacyclo[11.10.0.0²,⁶.0³,²¹.0⁷,¹².0¹⁴,¹⁸.0¹⁹,²³]tricosa-6,9-diene-8,11-dione
(3s)-6,7-dimethoxy-3-[(5r)-4-methoxy-6-methyl-2h,5h,7h,8h-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-1,3-dihydro-2-benzofuran-1-ol
(2e,5r)-5-hydroxy-5-[(2r,3s)-4-hydroxy-7-methoxy-2,3,8-trimethyl-6,9-dioxo-2h-naphtho[1,2-b]furan-3-yl]-2-methylpent-2-enimidic acid
3'-methoxy-1,3'-dimethyl-2'-(2-phenylethenyl)spiro[indole-3,6'-pyrrolo[1,2-c]imidazole]-1',2,5'-trione
C24H21N3O4 (415.15319860000005)
(7r)-3-[(acetyloxy)methyl]-7-{[(5r)-5-amino-5-carboxy-1-hydroxypentylidene]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
C16H21N3O8S (415.10493060000005)
(6r,7s)-3-[(acetyloxy)methyl]-7-{[(5s)-5-amino-5-carboxy-1-hydroxypentylidene]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
C16H21N3O8S (415.10493060000005)
2,3-dimethoxy-6-({4-methoxy-6-methyl-2h,5h,7h,8h-[1,3]dioxolo[4,5-g]isoquinolin-5-yl}methyl)benzoic acid
3-({6-[2-(dimethylamino)ethyl]-2h-1,3-benzodioxol-5-yl}methyl)-3-hydroxy-6,7-dimethoxy-2-benzofuran-1-one
(8s)-8-[(1-hydroxyethylidene)amino]-5,13,14,15-tetramethoxytricyclo[9.4.0.0²,⁷]pentadeca-1(11),2(7),3,5,12,14-hexaene-4-carboxylic acid
2-hydroxy-n-{3,4,5,14-tetramethoxy-13-oxotricyclo[9.5.0.0²,⁷]hexadeca-1(16),2(7),3,5,11,14-hexaen-10-yl}ethanimidic acid
(2z,4as,12ar)-2-[amino(hydroxy)methylidene]-4a,10,11,12a-tetrahydroxy-8-methoxy-4,5-dihydrotetracene-1,3,12-trione
C20H17NO9 (415.09032720000005)
3-[(acetyloxy)methyl]-7-[(5-amino-5-carboxy-1-hydroxypentylidene)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
C16H21N3O8S (415.10493060000005)