Exact Mass: 421.2113792
Exact Mass Matches: 421.2113792
Found 500 metabolites which its exact mass value is equals to given mass value 421.2113792,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Fenpyroximate
C24H27N3O4 (421.20014620000006)
CONFIDENCE standard compound; INTERNAL_ID 254; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10501; ORIGINAL_PRECURSOR_SCAN_NO 10500 CONFIDENCE standard compound; INTERNAL_ID 254; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10529; ORIGINAL_PRECURSOR_SCAN_NO 10528 CONFIDENCE standard compound; INTERNAL_ID 254; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10568; ORIGINAL_PRECURSOR_SCAN_NO 10566 CONFIDENCE standard compound; INTERNAL_ID 254; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10573; ORIGINAL_PRECURSOR_SCAN_NO 10568 CONFIDENCE standard compound; INTERNAL_ID 254; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10546; ORIGINAL_PRECURSOR_SCAN_NO 10545 CONFIDENCE standard compound; INTERNAL_ID 254; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10595; ORIGINAL_PRECURSOR_SCAN_NO 10594
Latrunculin A
C22H31NO5S (421.19228360000005)
A bicyclic macrolide natural product consisting of a 16-membered bicyclic lactone attached to the rare 2-thiazolidinone moiety. It is obtained from the Red Sea sponge Latrunculia magnifica and from the Fiji Islands sponge Cacospongia mycofijiensis. Latrunculin A inhibits actin polymerisation, microfilament organsation and microfilament-mediated processes.
4-Hydroxytoremifene
C26H28ClNO2 (421.18084580000004)
Fenpyroximate
C24H27N3O4 (421.20014620000006)
Givinostat
C24H27N3O4 (421.20014620000006)
C471 - Enzyme Inhibitor > C1946 - Histone Deacetylase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor
latrunculin a
C22H31NO5S (421.19228360000005)
Linsitinib
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor
Mopidamol
C471 - Enzyme Inhibitor > C2019 - Dihydropyrimidine Dehydrogenase Inhibitor D000970 - Antineoplastic Agents
Sufotidine
6-O-Demethyl-8-O-methyl-7-epi-ancistrobrevine D
C26H31NO4 (421.22529660000004)
EI 2128-1
C23H35NO6 (421.24642500000004)
Otenzepad
C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents Otenzepad (AF-DX 116) is a selective and competitive M2 muscarinic acetylcholine receptor antagonist, with IC50 values of 640 nM and 386 nM for rabbit peripheral lung and rat heart, respectively[1].
Linsitinib
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor
5-epi-4-O-demethylancistrobertsonine C
C26H31NO4 (421.22529660000004)
N-[4-[3-(4-Oxo-5,5-dimethyl-4,5-dihydrofuran-2-yl)butoxy]phenethyl]-3-(methylsulfinyl)propanamide
C22H31NO5S (421.19228360000005)
(E)-3-(methylsulfonyl)-propenoic acid (2E,6E)-4-(8-hydroxy-3,7-dimethyl-2,6-octadienyloxy)-phenethyl amide|gerambullol
C22H31NO5S (421.19228360000005)
(+/-)-(2R*,3R*)-3-hydroxy-9-[(2E)-1-oxo-3-phenylprop-2-enyl]-2-phenyl-1,5,9-triazacyclotridecan-4-one|(+/-)-(2R*,3R*)-3-hydroxycelacinnine|7-hydroxycelacininne
C25H31N3O3 (421.23652960000004)
apo latrunculin T
C22H31NO5S (421.19228360000005)
A natural product found in Cacospongia mycofijiensis.
(4R,5aS,9S,9aS)-1,3,4,5,5a,6,7,8,9,9a-decahydro-4-methoxy-6,6,9a-trimethyl-3-oxonaphtho[1,2-c]furan-9-yl N-acetyl-L-valinate|(7R)-methoxypurpuride|purpuride B
C23H35NO6 (421.24642500000004)
N-(2-Hydroxy-2-propyl)-2-<4-(3,4,5-trimethoxy-cinnamoyl)-1-piperazinyl>acetamid|N-(2-Hydroxy-2-propyl)-2-[4-(3,4,5-trimethoxy-cinnamoyl)-1-piperazinyl]acetamid
7-hydroxy-7,8-dihydropleurostyline
C25H31N3O3 (421.23652960000004)
5,13-dihydroxy-4,6,10,14-tetramethyl-15-(2-methyl-1,3-thiazol-4-yl)pentadeca-10,14-diene-3,7-dione
C23H35NO4S (421.2286670000001)
Ala Ala Phe Asn
Ala Ala Asn Phe
Ala Cys Lys Thr
C16H31N5O6S (421.19949460000004)
Ala Cys Thr Lys
C16H31N5O6S (421.19949460000004)
Ala Phe Ala Asn
Ala Phe Gly Lys
Ala Phe Gly Gln
Ala Phe Lys Gly
Ala Phe Asn Ala
Ala Phe Gln Gly
Ala Gly Phe Lys
Ala Gly Phe Gln
Ala Gly Lys Phe
Ala Gly Gln Phe
Ala Lys Cys Thr
C16H31N5O6S (421.19949460000004)
Ala Lys Phe Gly
Ala Lys Gly Phe
Ala Lys Thr Cys
C16H31N5O6S (421.19949460000004)
Ala Asn Ala Phe
Ala Asn Phe Ala
Ala Gln Phe Gly
Ala Gln Gly Phe
Ala Thr Cys Lys
C16H31N5O6S (421.19949460000004)
Ala Thr Lys Cys
C16H31N5O6S (421.19949460000004)
Cys Ala Lys Thr
C16H31N5O6S (421.19949460000004)
Cys Ala Thr Lys
C16H31N5O6S (421.19949460000004)
Cys Gly Arg Ser
Cys Gly Ser Arg
Cys Lys Ala Thr
C16H31N5O6S (421.19949460000004)
Cys Lys Thr Ala
C16H31N5O6S (421.19949460000004)
Cys Arg Gly Ser
Cys Arg Ser Gly
Cys Ser Gly Arg
Cys Ser Arg Gly
Cys Thr Ala Lys
C16H31N5O6S (421.19949460000004)
Cys Thr Lys Ala
C16H31N5O6S (421.19949460000004)
Phe Ala Ala Asn
Phe Ala Gly Lys
Phe Ala Gly Gln
Phe Ala Lys Gly
Phe Ala Asn Ala
Phe Ala Gln Gly
Phe Gly Ala Lys
Phe Gly Ala Gln
Phe Gly Lys Ala
Phe Gly Gln Ala
Phe Lys Ala Gly
Phe Lys Gly Ala
Phe Asn Ala Ala
Phe Gln Ala Gly
Phe Gln Gly Ala
Gly Ala Phe Lys
Gly Ala Phe Gln
Gly Ala Lys Phe
Gly Ala Gln Phe
Gly Cys Arg Ser
Gly Cys Ser Arg
Gly Phe Ala Lys
Gly Phe Ala Gln
Gly Phe Lys Ala
Gly Phe Gln Ala
Gly Lys Ala Phe
Gly Lys Phe Ala
Gly Lys Met Ser
C16H31N5O6S (421.19949460000004)
Gly Lys Ser Met
C16H31N5O6S (421.19949460000004)
Gly Met Lys Ser
C16H31N5O6S (421.19949460000004)
Gly Met Ser Lys
C16H31N5O6S (421.19949460000004)
Gly Gln Ala Phe
Gly Gln Phe Ala
Gly Arg Cys Ser
Gly Arg Ser Cys
Gly Ser Cys Arg
Gly Ser Lys Met
C16H31N5O6S (421.19949460000004)
Gly Ser Met Lys
C16H31N5O6S (421.19949460000004)
Gly Ser Arg Cys
Lys Ala Cys Thr
C16H31N5O6S (421.19949460000004)
Lys Ala Phe Gly
Lys Ala Gly Phe
Lys Ala Thr Cys
C16H31N5O6S (421.19949460000004)
Lys Cys Ala Thr
C16H31N5O6S (421.19949460000004)
Lys Cys Thr Ala
C16H31N5O6S (421.19949460000004)
Lys Phe Ala Gly
Lys Phe Gly Ala
Lys Gly Ala Phe
Lys Gly Phe Ala
Lys Gly Met Ser
C16H31N5O6S (421.19949460000004)
Lys Gly Ser Met
C16H31N5O6S (421.19949460000004)
Lys Met Gly Ser
C16H31N5O6S (421.19949460000004)
Lys Met Ser Gly
C16H31N5O6S (421.19949460000004)
Lys Ser Gly Met
C16H31N5O6S (421.19949460000004)
Lys Ser Met Gly
C16H31N5O6S (421.19949460000004)
Lys Ser Ser Thr
Lys Ser Thr Ser
Lys Thr Ala Cys
C16H31N5O6S (421.19949460000004)
Lys Thr Cys Ala
C16H31N5O6S (421.19949460000004)
Lys Thr Ser Ser
Met Gly Lys Ser
C16H31N5O6S (421.19949460000004)
Met Gly Ser Lys
C16H31N5O6S (421.19949460000004)
Met Lys Gly Ser
C16H31N5O6S (421.19949460000004)
Met Lys Ser Gly
C16H31N5O6S (421.19949460000004)
Met Ser Gly Lys
C16H31N5O6S (421.19949460000004)
Met Ser Lys Gly
C16H31N5O6S (421.19949460000004)
Asn Ala Ala Phe
Asn Ala Phe Ala
Asn Phe Ala Ala
Asn Ser Thr Thr
C15H27N5O9 (421.18086919999996)
Asn Thr Ser Thr
C15H27N5O9 (421.18086919999996)
Asn Thr Thr Ser
C15H27N5O9 (421.18086919999996)
Gln Ala Phe Gly
Gln Ala Gly Phe
Gln Phe Ala Gly
Gln Phe Gly Ala
Gln Gly Ala Phe
Gln Gly Phe Ala
Gln Ser Ser Thr
C15H27N5O9 (421.18086919999996)
Gln Ser Thr Ser
C15H27N5O9 (421.18086919999996)
Gln Thr Ser Ser
C15H27N5O9 (421.18086919999996)
Arg Cys Gly Ser
Arg Cys Ser Gly
Arg Gly Cys Ser
Arg Gly Ser Cys
Arg Ser Cys Gly
Ser Gly Lys Met
C16H31N5O6S (421.19949460000004)
Ser Gly Met Lys
C16H31N5O6S (421.19949460000004)
Ser Lys Gly Met
C16H31N5O6S (421.19949460000004)
Ser Lys Met Gly
C16H31N5O6S (421.19949460000004)
Ser Lys Ser Thr
Ser Lys Thr Ser
Ser Met Gly Lys
C16H31N5O6S (421.19949460000004)
Ser Met Lys Gly
C16H31N5O6S (421.19949460000004)
Ser Asn Thr Thr
C15H27N5O9 (421.18086919999996)
Ser Gln Ser Thr
C15H27N5O9 (421.18086919999996)
Ser Gln Thr Ser
C15H27N5O9 (421.18086919999996)
Ser Ser Lys Thr
Ser Ser Gln Thr
C15H27N5O9 (421.18086919999996)
Ser Ser Thr Lys
Ser Ser Thr Gln
C15H27N5O9 (421.18086919999996)
Ser Thr Lys Ser
Ser Thr Asn Thr
C15H27N5O9 (421.18086919999996)
Ser Thr Gln Ser
C15H27N5O9 (421.18086919999996)
Ser Thr Ser Lys
Ser Thr Ser Gln
C15H27N5O9 (421.18086919999996)
Ser Thr Thr Asn
C15H27N5O9 (421.18086919999996)
Thr Ala Cys Lys
C16H31N5O6S (421.19949460000004)
Thr Ala Lys Cys
C16H31N5O6S (421.19949460000004)
Thr Cys Ala Lys
C16H31N5O6S (421.19949460000004)
Thr Cys Lys Ala
C16H31N5O6S (421.19949460000004)
Thr Lys Ala Cys
C16H31N5O6S (421.19949460000004)
Thr Lys Cys Ala
C16H31N5O6S (421.19949460000004)
Thr Lys Ser Ser
Thr Asn Ser Thr
C15H27N5O9 (421.18086919999996)
Thr Asn Thr Ser
C15H27N5O9 (421.18086919999996)
Thr Gln Ser Ser
C15H27N5O9 (421.18086919999996)
Thr Ser Lys Ser
Thr Ser Asn Thr
C15H27N5O9 (421.18086919999996)
Thr Ser Gln Ser
C15H27N5O9 (421.18086919999996)
Thr Ser Ser Lys
Thr Ser Ser Gln
C15H27N5O9 (421.18086919999996)
Thr Ser Thr Asn
C15H27N5O9 (421.18086919999996)
Thr Thr Asn Ser
C15H27N5O9 (421.18086919999996)
Thr Thr Ser Asn
C15H27N5O9 (421.18086919999996)
FIPI
C23H24FN5O2 (421.19139359999997)
FIPI (5-Fluoro-2-indolyl des-chlorohalopemide), a derivative of Halopemide (HY-119093), is a phospholipase D (PLD) inhibitor with IC50s of approximately 25 nM and 20 nM for PLD1 and PLD2, respectively. FIPI inhibits PLD regulation of F-actin cytoskeleton reorganization, cell spreading, and chemotaxis. FIPI has the potential for autoimmunity and cancer metastasis research[1][2][3].
ethyl 2-methylprop-2-enoate,methyl 2-methylprop-2-enoate,trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium,chloride
C20H36ClNO6 (421.22310260000006)
DANSYL-BETA-ALANINE CYCLOHEXYLAMMONIUM SALT
C21H31N3O4S (421.20351660000006)
DANSYL-L-ALANINE CYCLOHEXYLAMMONIUM SALT
C21H31N3O4S (421.20351660000006)
but-3-yn-2-yl N-(3-chlorophenyl)carbamate,3-cyclooctyl-1,1-dimethylurea
C22H32ClN3O3 (421.21320720000006)
Octyl 5-N,N-diethylamino-2-phenylsulfonyl-2,4-pentadienoate
C23H35NO4S (421.2286670000001)
(6-[(ACRIDINE-9-CARBONYL)-AMINO]-HEXYL)-CARBAMIC ACID TERT-BUTYL ESTER
C25H31N3O3 (421.23652960000004)
2-(N,N-BisBoc-amino)pyrimidine-5-boronic acid, pinacol ester
Sufotidine
C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29702 - Histamine-2 Receptor Antagonist
1-Methyl-2-(tributylstannyl)-1H-indole
C21H35NSn (421.17913400000003)
2,5-Dibutoxy-4-(4-morpholinyl)benzenediazonium tetrafluoroborate
Buspirone hydrochloride
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent Buspirone hydrochloride is a 5-HT1A receptor agonist. Buspirone hydrochloride can be used for anxiety and depression research[1][2].
TC-G 1004
TC-G 1004 (compound 16j) is an orally active A2A adenosine receptor antagonist, with Ki values of 0.44 nM and 80 nM for hA2A and hA1, respectively[1].
(S)-2-(4-(1-(tert-butoxycarbonyl)piperidin-3-yl)phenyl)-2H-indazole-7-carboxylicacid
C24H27N3O4 (421.20014620000006)
4-(Naphthalenyl)-N-[4-(1-naphthalenyl)phenyl]benzenamine
(2-{4-[(E)-2-Chloro-1,2-diphenylvinyl]phenoxy}ethyl)diethylamine oxide
C26H28ClNO2 (421.18084580000004)
1-cyclopentyl-2-imino-10-methyl-5-oxo-N-(2-oxolanylmethyl)-3-dipyrido[3,4-c:1,2-f]pyrimidinecarboxamide
N~3~-[5-(1h-Indol-6-Yl)-2-(Pyridin-2-Ylmethoxy)benzyl]pyridine-2,3-Diamine
2-(4-(Aminomethyl)piperidin-1-YL)-N-(3_cyclohexyl-4-oxo-2,4-dihydroindeno[1,2-C]pyrazol-5-YL)acetamide
2-Cycloheptyl-5-[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]-4,4-dimethylpyrazol-3-one
C25H31N3O3 (421.23652960000004)
(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-(1-hydroxy-3-methylhexan-3-yl)sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
C17H31N3O7S (421.18826160000003)
3-hydroxy-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-5-methoxy-2,6-bis(3-methylbut-2-enyl)phenolate
4-[(4Z,8E,10Z)-17-hydroxy-5,12-dimethyl-3-oxo-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-17-yl]-1,3-thiazolidin-2-one
C22H31NO5S (421.19228360000005)
5-fluoro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1H-indole-2-carboxamide
C23H24FN5O2 (421.19139359999997)
FIPI (5-Fluoro-2-indolyl des-chlorohalopemide), a derivative of Halopemide (HY-119093), is a phospholipase D (PLD) inhibitor with IC50s of approximately 25 nM and 20 nM for PLD1 and PLD2, respectively. FIPI inhibits PLD regulation of F-actin cytoskeleton reorganization, cell spreading, and chemotaxis. FIPI has the potential for autoimmunity and cancer metastasis research[1][2][3].
3-[[4-[6-(4-Morpholinyl)-3-pyridazinyl]-1-piperazinyl]-oxomethyl]-1-benzopyran-2-one
C22H23N5O4 (421.17499580000003)
2-[ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]-N-[4-(4-morpholinyl)phenyl]acetamide
4-[Oxo-[2-(3-phenylpropyl)-1,3-benzoxazol-5-yl]methyl]-1-piperazinecarboxylic acid ethyl ester
C24H27N3O4 (421.20014620000006)
1-cyclopentyl-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)urea
C24H27N3O4 (421.20014620000006)
N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-[4-(4-hydroxyphenyl)-1-piperazinyl]acetamide
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[4-(5-fluoro-1-benzotriazolyl)-1-piperidinyl]acetamide
{2-[N-(4-Dimethylamino-benzylidene)-hydrazino]-6-methyl-5-nitro-pyrimidin-4-yl}-(4-methoxy-phenyl)-amine
Ascofuranol(1-)
C23H30ClO5- (421.17816600000003)
A phenolate anion resulting from the deprotonation of the hydroxy group that is para- to the aldehyde group of ascofuranol. The major species at pH 7.3.
Oxystemokerrine N-oxide
A natural product found in Stemona aphylla and Stemona.
(3S,6aR,8R,10aR)-8-[2-(dimethylamino)-2-oxoethyl]-3-hydroxy-N-(3-methoxyphenyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
(1S,9R,10R,11R)-12-acetyl-10-(hydroxymethyl)-N,N-dimethyl-6-oxo-5-[(E)-2-phenylethenyl]-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
C24H27N3O4 (421.20014620000006)
(3S,6aR,8R,10aR)-N-(1,3-benzodioxol-5-yl)-3-hydroxy-8-[2-(methylamino)-2-oxoethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
C20H27N3O7 (421.18489120000004)
N-[2-[(2R,5R,6S)-5-[(2-fluorophenyl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclohexanecarboxamide
1-[(2R,3R,6R)-6-[2-(4-cyclopropyl-1-triazolyl)ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(2,5-difluorophenyl)urea
1-[(2R,3S,6S)-6-[2-(4-cyclopropyltriazol-1-yl)ethyl]-2-(hydroxymethyl)oxan-3-yl]-3-(2,5-difluorophenyl)urea
1-[(2R,3R,6S)-6-[2-(4-cyclopropyl-1-triazolyl)ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(2,5-difluorophenyl)urea
N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-(4-phenyl-1-triazolyl)ethyl]-3-oxanyl]-2-(2-pyridinyl)acetamide
2-[(1R,3R,4aR,9aS)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-methoxyethyl)acetamide
2-[(1R,3S,4aR,9aS)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-methoxyethyl)acetamide
2-[(1R,3R,4aS,9aR)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-methoxyethyl)acetamide
(3S,6aS,8R,10aS)-8-[2-(dimethylamino)-2-oxoethyl]-3-hydroxy-N-(3-methoxyphenyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
(3R,6aR,8R,10aR)-8-[2-(dimethylamino)-2-oxoethyl]-3-hydroxy-N-(3-methoxyphenyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
N-[2-[(2S,5S,6R)-5-[(2-fluorophenyl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclohexanecarboxamide
N-[2-[(2S,5S,6S)-5-[(2-fluorophenyl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclohexanecarboxamide
1-[(2S,3R,6S)-6-[2-(4-cyclopropyl-1-triazolyl)ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(2,5-difluorophenyl)urea
1-[(2S,3S,6R)-6-[2-(4-cyclopropyl-1-triazolyl)ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(2,5-difluorophenyl)urea
1-[(2S,3R,6R)-6-[2-(4-cyclopropyltriazol-1-yl)ethyl]-2-(hydroxymethyl)oxan-3-yl]-3-(2,5-difluorophenyl)urea
1-[(2S,3S,6S)-6-[2-(4-cyclopropyltriazol-1-yl)ethyl]-2-(hydroxymethyl)oxan-3-yl]-3-(2,5-difluorophenyl)urea
2-[(1S,3R,4aS,9aR)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-methoxyethyl)acetamide
2-[(1S,3S,4aR,9aS)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-methoxyethyl)acetamide
(3S,6aR,8S,10aR)-8-[2-(dimethylamino)-2-oxoethyl]-3-hydroxy-N-(3-methoxyphenyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
N-[2-[(2R,5S,6R)-5-[[(2-fluoroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]cyclohexanecarboxamide
N-[2-[(2S,5R,6R)-5-[[(2-fluoroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]cyclohexanecarboxamide
N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-(4-phenyl-1-triazolyl)ethyl]-3-oxanyl]-2-(2-pyridinyl)acetamide
N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-[4-(phenylmethyl)-1-triazolyl]ethyl]-3-oxanyl]-2-pyridinecarboxamide
N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-[4-(phenylmethyl)-1-triazolyl]ethyl]-3-oxanyl]-2-pyridinecarboxamide
N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-[4-(phenylmethyl)-1-triazolyl]ethyl]-3-oxanyl]-2-pyridinecarboxamide
N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-[4-(phenylmethyl)-1-triazolyl]ethyl]-3-oxanyl]-2-pyridinecarboxamide
N-[(3-fluorophenyl)methyl]-2-[(2R,3S,6R)-2-(hydroxymethyl)-3-[[2-(4-morpholinyl)-1-oxoethyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetamide
C21H28FN3O5 (421.20128900000003)
N-[(3-fluorophenyl)methyl]-2-[(2R,3R,6S)-2-(hydroxymethyl)-3-[[2-(4-morpholinyl)-1-oxoethyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetamide
C21H28FN3O5 (421.20128900000003)
2-[(1S,3R,4aR,9aS)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-methoxyethyl)acetamide
(3R,6aS,8S,10aS)-8-[2-(dimethylamino)-2-oxoethyl]-3-hydroxy-N-(3-methoxyphenyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
[(1R)-7-methoxy-2-[(3-methoxyphenyl)methyl]-1,9-dimethyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]yl]methanol
C25H31N3O3 (421.23652960000004)
[(1R)-7-methoxy-2-[(2-methoxyphenyl)methyl]-1,9-dimethyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]yl]methanol
C25H31N3O3 (421.23652960000004)
(6R,7R,8S)-8-(hydroxymethyl)-4-[4-oxanyl(oxo)methyl]-7-[4-(3-pyridinyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
C24H27N3O4 (421.20014620000006)
(6S,7S,8R)-8-(hydroxymethyl)-4-[4-oxanyl(oxo)methyl]-7-[4-(3-pyridinyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
C24H27N3O4 (421.20014620000006)
(6S,7R,8R)-8-(hydroxymethyl)-4-[4-oxanyl(oxo)methyl]-7-[4-(3-pyridinyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
C24H27N3O4 (421.20014620000006)
(6R,7S,8S)-8-(hydroxymethyl)-4-[4-oxanyl(oxo)methyl]-7-[4-(3-pyridinyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
C24H27N3O4 (421.20014620000006)
N-[2-[(2S,5R,6S)-5-[[(2-fluoroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]cyclohexanecarboxamide
N-[2-[(2R,5R,6R)-5-[[(2-fluoroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]cyclohexanecarboxamide
N-[2-[(2R,5S,6S)-5-[[(2-fluoroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]cyclohexanecarboxamide
1-[(2R,3S,6R)-6-[2-(4-cyclopropyl-1-triazolyl)ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(2,5-difluorophenyl)urea
N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-(4-phenyl-1-triazolyl)ethyl]-3-oxanyl]-2-(2-pyridinyl)acetamide
N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-(4-phenyl-1-triazolyl)ethyl]-3-oxanyl]-2-(2-pyridinyl)acetamide
N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-(4-phenyl-1-triazolyl)ethyl]-3-oxanyl]-2-(2-pyridinyl)acetamide
N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-(4-phenyl-1-triazolyl)ethyl]-3-oxanyl]-2-(2-pyridinyl)acetamide
N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-(4-phenyl-1-triazolyl)ethyl]-3-oxanyl]-2-(2-pyridinyl)acetamide
N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-(4-phenyl-1-triazolyl)ethyl]-3-oxanyl]-2-(2-pyridinyl)acetamide
N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-[4-(phenylmethyl)-1-triazolyl]ethyl]-3-oxanyl]-2-pyridinecarboxamide
N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-[4-(phenylmethyl)-1-triazolyl]ethyl]-3-oxanyl]-2-pyridinecarboxamide
N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-[4-(phenylmethyl)-1-triazolyl]ethyl]-3-oxanyl]-2-pyridinecarboxamide
N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-[4-(phenylmethyl)-1-triazolyl]ethyl]-3-oxanyl]-2-pyridinecarboxamide
N-[(3-fluorophenyl)methyl]-2-[(2R,3S,6S)-2-(hydroxymethyl)-3-[[2-(4-morpholinyl)-1-oxoethyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetamide
C21H28FN3O5 (421.20128900000003)
N-[(3-fluorophenyl)methyl]-2-[(2S,3R,6S)-2-(hydroxymethyl)-3-[[2-(4-morpholinyl)-1-oxoethyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetamide
C21H28FN3O5 (421.20128900000003)
N-[(3-fluorophenyl)methyl]-2-[(2S,3S,6R)-2-(hydroxymethyl)-3-[[2-(4-morpholinyl)-1-oxoethyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetamide
C21H28FN3O5 (421.20128900000003)
N-[(3-fluorophenyl)methyl]-2-[(2S,3S,6S)-2-(hydroxymethyl)-3-[[2-(4-morpholinyl)-1-oxoethyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetamide
C21H28FN3O5 (421.20128900000003)
N-[(3-fluorophenyl)methyl]-2-[(2R,3R,6R)-2-(hydroxymethyl)-3-[[2-(4-morpholinyl)-1-oxoethyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetamide
C21H28FN3O5 (421.20128900000003)
2-[(1S,3S,4aS,9aR)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-methoxyethyl)acetamide
2-[(1R,3S,4aS,9aR)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-methoxyethyl)acetamide
(3R,6aS,8R,10aS)-8-[2-(dimethylamino)-2-oxoethyl]-3-hydroxy-N-(3-methoxyphenyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
(3S,6aS,8S,10aS)-8-[2-(dimethylamino)-2-oxoethyl]-3-hydroxy-N-(3-methoxyphenyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
(3R,6aR,8S,10aR)-8-[2-(dimethylamino)-2-oxoethyl]-3-hydroxy-N-(3-methoxyphenyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
(1R,9S,10S,11S)-12-acetyl-10-(hydroxymethyl)-N,N-dimethyl-6-oxo-5-[(E)-2-phenylethenyl]-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
C24H27N3O4 (421.20014620000006)
[(1S)-7-methoxy-2-[(3-methoxyphenyl)methyl]-1,9-dimethyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]yl]methanol
C25H31N3O3 (421.23652960000004)
[(1S)-7-methoxy-2-[(2-methoxyphenyl)methyl]-1,9-dimethyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]yl]methanol
C25H31N3O3 (421.23652960000004)
(6S,7R,8S)-8-(hydroxymethyl)-4-[4-oxanyl(oxo)methyl]-7-[4-(3-pyridinyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
C24H27N3O4 (421.20014620000006)
(6S,7S,8S)-8-(hydroxymethyl)-4-[4-oxanyl(oxo)methyl]-7-[4-(3-pyridinyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
C24H27N3O4 (421.20014620000006)
(6R,7R,8R)-8-(hydroxymethyl)-4-[4-oxanyl(oxo)methyl]-7-[4-(3-pyridinyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
C24H27N3O4 (421.20014620000006)
(6R,7S,8R)-8-(hydroxymethyl)-4-[4-oxanyl(oxo)methyl]-7-[4-(3-pyridinyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
C24H27N3O4 (421.20014620000006)
1-Chloro-4-[4-[2-(dimethylamino)ethoxy]phenyl]-3,4-diphenylbut-3-en-2-ol
C26H28ClNO2 (421.18084580000004)
(1R,9S,10S,11S)-N-ethyl-10-(hydroxymethyl)-6-oxo-5-[(Z)-2-phenylethenyl]-12-propyl-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
C25H31N3O3 (421.23652960000004)
(1R,9S,10S,11S)-12-ethyl-10-(hydroxymethyl)-6-oxo-N-[(1S)-1-phenylethyl]-5-[(Z)-prop-1-enyl]-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
C25H31N3O3 (421.23652960000004)
(1R,9S,10S,11S)-12-ethyl-10-(hydroxymethyl)-6-oxo-N-[(1R)-1-phenylethyl]-5-[(Z)-prop-1-enyl]-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
C25H31N3O3 (421.23652960000004)
(1S,9R,10R,11R)-10-(hydroxymethyl)-N,N-dimethyl-6-oxo-12-(2-phenylethyl)-5-[(Z)-prop-1-enyl]-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
C25H31N3O3 (421.23652960000004)
(2-{4-[3-(2-Chloroethyl)-2,3-diphenyloxiran-2-yl]phenoxy}ethyl)dimethylamine
C26H28ClNO2 (421.18084580000004)
(1S,9R,10R,11R)-12-ethyl-10-(hydroxymethyl)-6-oxo-N-[(1S)-1-phenylethyl]-5-[(Z)-prop-1-enyl]-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
C25H31N3O3 (421.23652960000004)
(1S,9R,10R,11R)-12-ethyl-10-(hydroxymethyl)-6-oxo-N-[(1R)-1-phenylethyl]-5-[(Z)-prop-1-enyl]-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
C25H31N3O3 (421.23652960000004)
(1R,9S,10S,11S)-10-(hydroxymethyl)-N,N-dimethyl-6-oxo-12-(2-phenylethyl)-5-[(Z)-prop-1-enyl]-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
C25H31N3O3 (421.23652960000004)
(E,8R)-8-[(2R,3R,5R,6S)-3-hydroxy-5-(4-hydroxybenzoyl)oxy-6-methyloxan-2-yl]oxynon-2-enoate
2-[[(4E,8E)-2-acetamido-3-hydroxydodeca-4,8-dienoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Givinostat
C24H27N3O4 (421.20014620000006)
C471 - Enzyme Inhibitor > C1946 - Histone Deacetylase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor
Mopidamol
C471 - Enzyme Inhibitor > C2019 - Dihydropyrimidine Dehydrogenase Inhibitor D000970 - Antineoplastic Agents
LEI-401
LEI-401 is a first-in-class, selective, and CNS-active NAPE-PLD (N-acylphosphatidylethanolamine phospholipase D) inhibitor, with an IC50 of 27 nM. LEI-401 modulates emotional behavior in mice[1].
TAK-071
TAK-071 is a novel, potent and highly selective muscarinic acetylcholine receptor 1 (M1R) positive allosteric modulator. EC50 of TAK-071 M1R agonist activities is 520 nM[1].
1,4-dihydroxy-3-[(2r,3r,5z)-3-methyl-5-[(2e,4e)-6-methylocta-2,4-dien-1-ylidene]oxan-2-yl]-5-phenylpyridin-2-one
C26H31NO4 (421.22529660000004)
4-(6-{6,7-dihydroxy-1,4,8-trimethyl-2,9-dioxabicyclo[3.3.1]nonan-3-yl}-1-hydroxy-4-methylhepta-2,4-dien-1-ylidene)-5-hydroxy-2h-pyrrol-3-one
(2e)-n-[2-(4-{[(2e)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-3-hydroxyphenyl)ethyl]-3-methanesulfonylprop-2-enimidic acid
C22H31NO5S (421.19228360000005)
(4r,5r,6r,10z,14e)-5,13-dihydroxy-4,6,10,14-tetramethyl-15-(2-methyl-1,3-thiazol-4-yl)pentadeca-10,14-diene-3,7-dione
C23H35NO4S (421.2286670000001)
(1r,4z,8e,10z,12s,15r,17r)-17-hydroxy-17-[(4s)-2-hydroxy-4,5-dihydro-1,3-thiazol-4-yl]-5,12-dimethyl-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-3-one
C22H31NO5S (421.19228360000005)
11-ethyl-8,9-dihydroxy-4,6,16-trimethoxy-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-18-one
C23H35NO6 (421.24642500000004)
n-(2-{4-[(3s)-3-(5,5-dimethyl-4-oxofuran-2-yl)butoxy]phenyl}ethyl)-3-[(r)-methanesulfinyl]propanimidic acid
C22H31NO5S (421.19228360000005)
(1s,3r)-5-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-6,8-dimethoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline
C26H31NO4 (421.22529660000004)
20-butoxy-17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaene
C25H27NO5 (421.18891320000006)
1,4-dihydroxy-3-[(2r,3r,5z)-3-methyl-5-[(2e,4e,6s)-6-methylocta-2,4-dien-1-ylidene]oxan-2-yl]-5-phenylpyridin-2-one
C26H31NO4 (421.22529660000004)
(4r,5r,6r,10z,13s,14e)-5,13-dihydroxy-4,6,10,14-tetramethyl-15-(2-methyl-1,3-thiazol-4-yl)pentadeca-10,14-diene-3,7-dione
C23H35NO4S (421.2286670000001)
(1r,2s,3s,6r,7s,14s)-7-ethyl-1-hydroxy-3-methyl-14-[(2s,4s)-4-methyl-5-oxooxolan-2-yl]-5-oxa-13-azatricyclo[11.2.1.0²,⁶]hexadecane-4,8,16-trione
(2e,4e,6r)-n-[(1's,2r,3'r,4s,5r,5'r,6'r,7's)-5,6'-dihydroxy-4',8'-dioxaspiro[oxolane-2,2'-tricyclo[5.1.0.0³,⁵]octan]-4-yl]-4,6-dimethyldodeca-2,4-dienimidic acid
C23H35NO6 (421.24642500000004)
(2e)-n-[(1's,3'r,4s,5r,5's,7'r)-5-hydroxy-6'-oxo-4',8'-dioxaspiro[oxolane-2,2'-tricyclo[5.1.0.0³,⁵]octan]-4-yl]-4,6-dimethyldodec-2-enimidic acid
C23H35NO6 (421.24642500000004)
(1s,3r)-5-(4,5-dimethoxy-7-methylnaphthalen-1-yl)-6-methoxy-1,2,3-trimethyl-3,4-dihydro-1h-isoquinolin-8-ol
C26H31NO4 (421.22529660000004)
17-hydroxy-17-(2-hydroxy-4,5-dihydro-1,3-thiazol-4-yl)-5,12-dimethyl-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-3-one
C22H31NO5S (421.19228360000005)
1-[2,4-dihydroxy-5-(4-hydroxyphenyl)pyridin-3-yl]-6,8,10-trimethyldodeca-2,4,6-trien-1-one
C26H31NO4 (421.22529660000004)
ancistrobertsonine a
C26H31NO4 (421.22529660000004)
{"Ingredient_id": "HBIN015984","Ingredient_name": "ancistrobertsonine a","Alias": "NA","Ingredient_formula": "C26H31NO4","Ingredient_Smile": "CC1CC2=C(C(=CC(=C2C(N1C)C)OC)O)C3=C4C=C(C=C(C4=C(C=C3)OC)OC)C","Ingredient_weight": "421.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "19528;21540","PubChem_id": "15840195","DrugBank_id": "NA"}
β-hydroxygerambullin
C22H31NO5S (421.19228360000005)
{"Ingredient_id": "HBIN018157","Ingredient_name": "\u03b2-hydroxygerambullin","Alias": "NA","Ingredient_formula": "C22H31NO5S","Ingredient_Smile": "CC(=CCCC(=CCOC1=CC=C(C=C1)C(CNC(=O)C=CS(=O)(=O)C)O)C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10138","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
14-ethyl-6-methoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,⁸.0⁸,¹².0¹⁶,²⁰]docosane-3,4,19-triol
C23H35NO6 (421.24642500000004)
(2e)-n-[2-(4-{[(2e)-3,7-dimethylocta-2,6-dien-1-yl]oxy}phenyl)-2-hydroxyethyl]-3-methanesulfonylprop-2-enimidic acid
C22H31NO5S (421.19228360000005)
(2e)-n-cyclohexyl-3-{6-hydroxy-3-[(2s)-2-hydroxy-3-methoxy-3-methylbutyl]-2,4-dimethoxyphenyl}prop-2-enimidic acid
C23H35NO6 (421.24642500000004)
(2e,4e,6e,8r,10r)-1-[2,4-dihydroxy-5-(4-hydroxyphenyl)pyridin-3-yl]-6,8,10-trimethyldodeca-2,4,6-trien-1-one
C26H31NO4 (421.22529660000004)
(2e)-n-cyclohexyl-3-[6-hydroxy-3-(2-hydroxy-3-methoxy-3-methylbutyl)-2,4-dimethoxyphenyl]prop-2-enimidic acid
C23H35NO6 (421.24642500000004)
3-(8,10-dimethyldodeca-2,4,6,8-tetraenoyl)-1,4-dihydroxy-5-(4-hydroxyphenyl)pyridin-2-one
C25H27NO5 (421.18891320000006)
n-{5,6'-dihydroxy-4',8'-dioxaspiro[oxolane-2,2'-tricyclo[5.1.0.0³,⁵]octan]-4-yl}-4,6-dimethyldodeca-2,4-dienimidic acid
C23H35NO6 (421.24642500000004)
n-(2-{4-[(8-hydroxy-3,7-dimethylocta-2,6-dien-1-yl)oxy]phenyl}ethyl)-3-methanesulfonylprop-2-enimidic acid
C22H31NO5S (421.19228360000005)
(4z)-4-[(2e,4e,6r)-6-[(1s,3r,4r,5s,6r,7r,8r)-6,7-dihydroxy-1,4,8-trimethyl-2,9-dioxabicyclo[3.3.1]nonan-3-yl]-1-hydroxy-4-methylhepta-2,4-dien-1-ylidene]-5-hydroxy-2h-pyrrol-3-one
(1r,2r,3r,6r,7r,10r)-2-ethyl-1-hydroxy-6-methyl-10-[(2r,4r)-4-methyl-5-oxooxolan-2-yl]-4-oxa-11-azatricyclo[9.4.1.0³,⁷]hexadecane-5,8,16-trione
3-[(2e,4e,6e,8e)-8,10-dimethyldodeca-2,4,6,8-tetraenoyl]-1,4-dihydroxy-5-(4-hydroxyphenyl)pyridin-2-one
C25H27NO5 (421.18891320000006)
9,20-dihydroxy-7-phenyl-1,6,10-triazatricyclo[11.9.0.0¹⁴,¹⁹]docosa-9,14,16,18-tetraen-22-one
C25H31N3O3 (421.23652960000004)
4-ethyl-16-methoxy-10-(methoxymethyl)-6-oxa-4-azaheptacyclo[15.2.1.0²,⁷.0²,¹¹.0³,¹³.0⁵,¹⁰.0¹⁴,¹⁹]icosane-13,14,18-triol
C23H35NO6 (421.24642500000004)
n-(2-{4-[(3,7-dimethylocta-2,6-dien-1-yl)oxy]phenyl}-2-hydroxyethyl)-3-methanesulfonylprop-2-enimidic acid
C22H31NO5S (421.19228360000005)
(1r,3r)-7-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-6-methoxy-1,2,3-trimethyl-3,4-dihydro-1h-isoquinolin-8-ol
C26H31NO4 (421.22529660000004)
7-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-6-methoxy-1,2,3-trimethyl-3,4-dihydro-1h-isoquinolin-8-ol
C26H31NO4 (421.22529660000004)
(1s,2s,3s,5r,7s,10r,11s,13r,14r,16s,17r,18s,19s)-4-ethyl-16-methoxy-10-(methoxymethyl)-6-oxa-4-azaheptacyclo[15.2.1.0²,⁷.0²,¹¹.0³,¹³.0⁵,¹⁰.0¹⁴,¹⁹]icosane-13,14,18-triol
C23H35NO6 (421.24642500000004)
(1s,2r,3r,4s,8s,10s,13s,16s,17r)-4,6,16-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-11-ene-8,9-diol
C23H35NO6 (421.24642500000004)
10-ethyl-9-hydroxy-14-methyl-3-(4-methyl-5-oxooxolan-2-yl)-12,16-dioxa-4-azatetracyclo[7.6.1.1¹,⁴.0¹¹,¹⁵]heptadecane-13,17-dione
n-[1-({4-methoxy-6,6,9a-trimethyl-3-oxo-1h,4h,5h,5ah,7h,8h,9h-naphtho[1,2-c]furan-9-yl}oxy)-3-methyl-1-oxobutan-2-yl]ethanimidic acid
C23H35NO6 (421.24642500000004)
5-hydroxy-6-methoxy-6-methyl-3-{[6-(3-methylbut-2-en-1-yl)-2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methylidene}-1h-pyrazin-2-one
C25H31N3O3 (421.23652960000004)
n-(2-{4-[3-(5,5-dimethyl-4-oxofuran-2-yl)butoxy]phenyl}ethyl)-3-methanesulfinylpropanimidic acid
C22H31NO5S (421.19228360000005)
(1s,13z,17s,19s)-6,9-dihydroxy-5-methoxy-16-oxa-24-azapentacyclo[15.7.1.1⁸,¹².0²,⁷.0¹⁹,²⁴]hexacosa-2,4,6,8(26),9,11,13-heptaen-15-one
C25H27NO5 (421.18891320000006)
1-(6,7-dihydroxy-8-phenyl-1,5,9-triazacyclotridec-5-en-1-yl)-3-phenylprop-2-en-1-one
C25H31N3O3 (421.23652960000004)
(3s,6z)-3-methoxy-3-methyl-6-{[5-(3-methylbut-2-en-1-yl)-2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methylidene}pyrazine-2,5-diol
C25H31N3O3 (421.23652960000004)
(1s,3r)-5-(4,5-dimethoxy-7-methylnaphthalen-1-yl)-8-methoxy-1,2,3-trimethyl-3,4-dihydro-1h-isoquinolin-6-ol
C26H31NO4 (421.22529660000004)
n-cyclohexyl-3-[6-hydroxy-3-(2-hydroxy-3-methoxy-3-methylbutyl)-2,4-dimethoxyphenyl]prop-2-enimidic acid
C23H35NO6 (421.24642500000004)
4,9-dihydroxy-5-methoxy-16-oxa-24-azapentacyclo[15.7.1.1⁸,¹².0²,⁷.0¹⁹,²⁴]hexacosa-2(7),3,5,8(26),9,11,13-heptaen-15-one
C25H27NO5 (421.18891320000006)
(1r,3s)-7-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-6-methoxy-1,2,3-trimethyl-3,4-dihydro-1h-isoquinolin-8-ol
C26H31NO4 (421.22529660000004)
2-[(1r,2e,4as,4br,8s,8ar,9r,10as)-9-hydroxy-8-(methoxycarbonyl)-1,4b,8-trimethyl-10-oxo-decahydrophenanthren-2-ylidene]-n-(2-hydroxyethyl)ethanimidic acid
C23H35NO6 (421.24642500000004)
9-hydroxy-13-[hydroxy(phenyl)methyl]-7-phenyl-1,6,10-triazabicyclo[10.2.1]pentadec-9-en-14-one
C25H31N3O3 (421.23652960000004)
(1r,3r)-5-(4,5-dimethoxy-7-methylnaphthalen-1-yl)-6-methoxy-1,2,3-trimethyl-3,4-dihydro-1h-isoquinolin-8-ol
C26H31NO4 (421.22529660000004)
4-ethyl-12,16-dimethoxy-10-methyl-6-oxa-4-azaheptacyclo[15.2.1.0²,⁷.0²,¹¹.0³,¹³.0⁵,¹⁰.0¹⁴,¹⁹]icosane-13,14,18-triol
C23H35NO6 (421.24642500000004)
(1s,13z,17s,19r)-4,9-dihydroxy-5-methoxy-16-oxa-24-azapentacyclo[15.7.1.1⁸,¹².0²,⁷.0¹⁹,²⁴]hexacosa-2(7),3,5,8(26),9,11,13-heptaen-15-one
C25H27NO5 (421.18891320000006)
2-{2-[(1,4-dihydroxy-2-{[hydroxy(phenyl)methylidene]amino}butylidene)amino]-n-methylpropanamido}-4-methylpentanoic acid
(7r,12s,13r)-9-hydroxy-13-[(s)-hydroxy(phenyl)methyl]-7-phenyl-1,6,10-triazabicyclo[10.2.1]pentadec-9-en-14-one
C25H31N3O3 (421.23652960000004)
(2e,10e)-n-[(2r,3s,4as,8r,8as)-2,4a-dihydroxy-8-methoxy-8a-methyl-5-oxo-2,3,4,8-tetrahydro-1-benzopyran-3-yl]dodeca-2,10-dienimidic acid
C23H35NO6 (421.24642500000004)
(7r,13s,20r)-9,20-dihydroxy-7-phenyl-1,6,10-triazatricyclo[11.9.0.0¹⁴,¹⁹]docosa-9,14,16,18-tetraen-22-one
C25H31N3O3 (421.23652960000004)
3-[(2e,4e,6e,8e,10r)-8,10-dimethyldodeca-2,4,6,8-tetraenoyl]-1,4-dihydroxy-5-(4-hydroxyphenyl)pyridin-2-one
C25H27NO5 (421.18891320000006)
n-(2-{4-[(3,7-dimethylocta-2,6-dien-1-yl)oxy]-3-hydroxyphenyl}ethyl)-3-methanesulfonylprop-2-enimidic acid
C22H31NO5S (421.19228360000005)
7-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-8-methoxy-1,2,3-trimethyl-3,4-dihydro-1h-isoquinolin-6-ol
C26H31NO4 (421.22529660000004)
(1s,3s)-5-(4,5-dimethoxy-7-methylnaphthalen-1-yl)-6,8-dimethoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline
C26H31NO4 (421.22529660000004)
(2s)-2-[(2r)-2-{[(2s)-1,4-dihydroxy-2-{[hydroxy(phenyl)methylidene]amino}butylidene]amino}-n-methylpropanamido]-4-methylpentanoic acid
1-({4-[2-hydroxy-5-(hydroxymethyl)phenoxy]phenyl}methyl)-6-methoxy-2-methyl-3,4-dihydro-1h-isoquinolin-7-ol
C25H27NO5 (421.18891320000006)
(7s,12s,13s)-9-hydroxy-13-[(r)-hydroxy(phenyl)methyl]-7-phenyl-1,6,10-triazabicyclo[10.2.1]pentadec-9-en-14-one
C25H31N3O3 (421.23652960000004)
(1s,3s)-5-(4,5-dimethoxy-7-methylnaphthalen-1-yl)-8-methoxy-1,2,3-trimethyl-3,4-dihydro-1h-isoquinolin-6-ol
C26H31NO4 (421.22529660000004)
5-[(1r,6s)-1,6-dihydroxy-3-{[(2e,4s,6r)-1-hydroxy-4,6,8-trimethylnona-2,7-dien-1-ylidene]amino}-4-oxocyclohex-2-en-1-yl]pentanoic acid
C23H35NO6 (421.24642500000004)
(1r,16s,20s,22s)-5,22-dihydroxy-8-methoxy-24-azapentacyclo[14.7.1.1²,⁶.1⁷,¹¹.0²⁰,²⁴]hexacosa-2,4,6(26),7(25),8,10-hexaen-14-one
C26H31NO4 (421.22529660000004)
1,4-dihydroxy-3-[3-methyl-5-(6-methylocta-2,4-dien-1-ylidene)oxan-2-yl]-5-phenylpyridin-2-one
C26H31NO4 (421.22529660000004)
7-ethyl-1-hydroxy-3-methyl-14-(4-methyl-5-oxooxolan-2-yl)-5-oxa-13-azatricyclo[11.2.1.0²,⁶]hexadecane-4,8,16-trione
(2z,4e,6s)-n-[(1's,2s,3'r,4r,5r,5'r,6's,7's)-5,6'-dihydroxy-4',8'-dioxaspiro[oxolane-2,2'-tricyclo[5.1.0.0³,⁵]octan]-4-yl]-4,6-dimethyldodeca-2,4-dienimidic acid
C23H35NO6 (421.24642500000004)
(1r,2r,3r,4r,5s,6s,8r,12r,13r,16s,19s,20s,21s)-14-ethyl-6-methoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,⁸.0⁸,¹².0¹⁶,²⁰]docosane-4,19,21-triol
C23H35NO6 (421.24642500000004)
(1r,2s,3s,6s,7r,10s)-2-ethyl-1-hydroxy-6-methyl-10-[(2s,4s)-4-methyl-5-oxooxolan-2-yl]-4-oxa-11-azatricyclo[9.4.1.0³,⁷]hexadecane-5,8,16-trione
(20r)-20-butoxy-17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaene
C25H27NO5 (421.18891320000006)
5,22-dihydroxy-8-methoxy-24-azapentacyclo[14.7.1.1²,⁶.1⁷,¹¹.0²⁰,²⁴]hexacosa-2,4,6(26),7(25),8,10-hexaen-14-one
C26H31NO4 (421.22529660000004)
(1s,13z,17s,19r)-6,9-dihydroxy-5-methoxy-16-oxa-24-azapentacyclo[15.7.1.1⁸,¹².0²,⁷.0¹⁹,²⁴]hexacosa-2,4,6,8(26),9,11,13-heptaen-15-one
C25H27NO5 (421.18891320000006)
5-{1,6-dihydroxy-3-[(1-hydroxy-4,6,8-trimethylnona-2,7-dien-1-ylidene)amino]-4-oxocyclohex-2-en-1-yl}pentanoic acid
C23H35NO6 (421.24642500000004)
2-[9-hydroxy-8-(methoxycarbonyl)-1,4b,8-trimethyl-10-oxo-decahydrophenanthren-2-ylidene]-n-(2-hydroxyethyl)ethanimidic acid
C23H35NO6 (421.24642500000004)
(6z)-3-methoxy-3-methyl-6-{[5-(3-methylbut-2-en-1-yl)-2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methylidene}pyrazine-2,5-diol
C25H31N3O3 (421.23652960000004)
(2e,4s,6r)-4,6-dimethyl-n-[(1's,2r,3'r,4s,5r,5's,7'r)-5-hydroxy-6'-oxo-4',8'-dioxaspiro[oxolane-2,2'-tricyclo[5.1.0.0³,⁵]octan]-4-yl]dodec-2-enimidic acid
C23H35NO6 (421.24642500000004)
n-[4-(3-benzoyl-5-methyl-2-oxo-1,5-diazocan-1-yl)butyl]benzenecarboximidic acid
C25H31N3O3 (421.23652960000004)
(1s,2s,4s,6s,9s,10s,11r,13s,14r,16s,17r,18r,19s)-8-ethyl-2,10,11-trihydroxy-13,19-dimethoxy-5-oxa-8-azaheptacyclo[8.7.2.1¹⁴,¹⁷.0¹,⁹.0⁴,⁶.0⁶,¹⁸.0¹¹,¹⁶]icosan-15-one
(2e)-1-[(7r,8r)-6,7-dihydroxy-8-phenyl-1,5,9-triazacyclotridec-5-en-1-yl]-3-phenylprop-2-en-1-one
C25H31N3O3 (421.23652960000004)
(6z)-3-methoxy-3-methyl-6-{[6-(3-methylbut-2-en-1-yl)-2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methylidene}pyrazine-2,5-diol
C25H31N3O3 (421.23652960000004)
(1s,3s,9s,10s,11r,14s,15s)-10-ethyl-9-hydroxy-14-methyl-3-[(2s,4s)-4-methyl-5-oxooxolan-2-yl]-12,16-dioxa-4-azatetracyclo[7.6.1.1¹,⁴.0¹¹,¹⁵]heptadecane-13,17-dione
(1r,2s,3s,4s,5s,6s,8r,12r,13s,16r,19s,20r)-14-ethyl-6-methoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,⁸.0⁸,¹².0¹⁶,²⁰]docosane-3,4,19-triol
C23H35NO6 (421.24642500000004)
(1s,3s)-5-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-6,8-dimethoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline
C26H31NO4 (421.22529660000004)
(1s,6r,9r,10r,11r,12s)-6-[(1r)-1-hydroxypropyl]-13-[(2z)-4-methoxy-3-methyl-5-oxofuran-2-ylidene]-12-methyl-14,15-dioxa-5-azatetracyclo[7.5.1.0¹,¹¹.0⁵,¹⁰]pentadecan-5-ium-5-olate
14-ethyl-6-methoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,⁸.0⁸,¹².0¹⁶,²⁰]docosane-4,19,21-triol
C23H35NO6 (421.24642500000004)
(1r,4z,12s,15r,17r)-17-hydroxy-17-[(4r)-2-hydroxy-4,5-dihydro-1,3-thiazol-4-yl]-5,12-dimethyl-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-3-one
C22H31NO5S (421.19228360000005)
2-[(1r,3r)-6,8-dimethoxy-1,2,3-trimethyl-3,4-dihydro-1h-isoquinolin-7-yl]-8-methoxy-3-methylnaphthalen-1-ol
C26H31NO4 (421.22529660000004)
(2e)-n-[(2r)-2-(4-{[(2e)-3,7-dimethylocta-2,6-dien-1-yl]oxy}phenyl)-2-hydroxyethyl]-3-methanesulfonylprop-2-enimidic acid
C22H31NO5S (421.19228360000005)
(2e)-n-[2-(4-{[(2e,6e)-8-hydroxy-3,7-dimethylocta-2,6-dien-1-yl]oxy}phenyl)ethyl]-3-methanesulfonylprop-2-enimidic acid
C22H31NO5S (421.19228360000005)
6,9-dihydroxy-5-methoxy-16-oxa-24-azapentacyclo[15.7.1.1⁸,¹².0²,⁷.0¹⁹,²⁴]hexacosa-2,4,6,8(26),9,11,13-heptaen-15-one
C25H27NO5 (421.18891320000006)
2-ethyl-1-hydroxy-6-methyl-10-(4-methyl-5-oxooxolan-2-yl)-4-oxa-11-azatricyclo[9.4.1.0³,⁷]hexadecane-5,8,16-trione
(1s,10z,12s,15r,17r)-17-hydroxy-17-[(4s)-2-hydroxy-4,5-dihydro-1,3-thiazol-4-yl]-5,12-dimethyl-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-3-one
C22H31NO5S (421.19228360000005)
n-[(2r,3s,4as,8r,8as)-2,4a-dihydroxy-8-methoxy-8a-methyl-5-oxo-2,3,4,8-tetrahydro-1-benzopyran-3-yl]dodeca-2,10-dienimidic acid
C23H35NO6 (421.24642500000004)
(1r,6s,9s,10r,11r,12s)-6-[(1s)-1-hydroxypropyl]-13-[(2z)-3-methoxy-4-methyl-5-oxofuran-2-ylidene]-12-methyl-14,15-dioxa-5-azatetracyclo[7.5.1.0¹,¹¹.0⁵,¹⁰]pentadecan-5-ium-5-olate
(2e,4e)-n-{5,6'-dihydroxy-4',8'-dioxaspiro[oxolane-2,2'-tricyclo[5.1.0.0³,⁵]octan]-4-yl}-4,6-dimethyldodeca-2,4-dienimidic acid
C23H35NO6 (421.24642500000004)
n-{5-hydroxy-6'-oxo-4',8'-dioxaspiro[oxolane-2,2'-tricyclo[5.1.0.0³,⁵]octan]-4-yl}-4,6-dimethyldodec-2-enimidic acid
C23H35NO6 (421.24642500000004)
(1r,4z,8e,10z,12s,15r,17r)-17-hydroxy-17-[(4r)-2-hydroxy-4,5-dihydro-1,3-thiazol-4-yl]-5,12-dimethyl-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-3-one
C22H31NO5S (421.19228360000005)
(1s,13z,17s,19s)-4,9-dihydroxy-5-methoxy-16-oxa-24-azapentacyclo[15.7.1.1⁸,¹².0²,⁷.0¹⁹,²⁴]hexacosa-2(7),3,5,8(26),9,11,13-heptaen-15-one
C25H27NO5 (421.18891320000006)
(1s,2r,3r,4s,5s,6s,8r,12s,13s,16r,19s,20r,21s)-14-ethyl-6-methoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,⁸.0⁸,¹².0¹⁶,²⁰]docosane-4,19,21-triol
C23H35NO6 (421.24642500000004)
5-hydroxy-6-methoxy-6-methyl-3-{[5-(3-methylbut-2-en-1-yl)-2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methylidene}-1h-pyrazin-2-one
C25H31N3O3 (421.23652960000004)
5-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-8-methoxy-1,2,3-trimethyl-3,4-dihydro-1h-isoquinolin-6-ol
C26H31NO4 (421.22529660000004)
n-{4-[(3s)-3-benzoyl-5-methyl-2-oxo-1,5-diazocan-1-yl]butyl}benzenecarboximidic acid
C25H31N3O3 (421.23652960000004)
(1r,3r)-5-(4,5-dimethoxy-7-methylnaphthalen-1-yl)-8-methoxy-1,2,3-trimethyl-3,4-dihydro-1h-isoquinolin-6-ol
C26H31NO4 (421.22529660000004)
n-[(2s)-1-{[(4r,5as,9s,9as)-4-methoxy-6,6,9a-trimethyl-3-oxo-1h,4h,5h,5ah,7h,8h,9h-naphtho[1,2-c]furan-9-yl]oxy}-3-methyl-1-oxobutan-2-yl]ethanimidic acid
C23H35NO6 (421.24642500000004)