Exact Mass: 544.2281512
Exact Mass Matches: 544.2281512
Found 500 metabolites which its exact mass value is equals to given mass value 544.2281512
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
10-Deacetylbaccatin III
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.908 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.907 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.902 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.898 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2261 10-Deacetylbaccatin-III is an intermediate for taxol analog preparations. IC50 value: Target: Taxols have exhibit antitumor agents. Several of these taxols can be synthesized from 10- Deacetylbaccatin-III. 10-Deacetylbaccine III is the fifth intermediate of paclitaxel biosynthesis. The biosynthetic pathway consists of approximately 20 enzymatic steps but is not fully elucidated. 10-Deacetylbaccine III is an antineoplastic agent and an anti-cancer intermediate. 10-Deacetylbaccatin-III is an intermediate for taxol analog preparations. IC50 value: Target: Taxols have exhibit antitumor agents. Several of these taxols can be synthesized from 10- Deacetylbaccatin-III. 10-Deacetylbaccine III is the fifth intermediate of paclitaxel biosynthesis. The biosynthetic pathway consists of approximately 20 enzymatic steps but is not fully elucidated. 10-Deacetylbaccine III is an antineoplastic agent and an anti-cancer intermediate.
Morellin
Morellin is found in fruits. Morellin is a constituent of seeds of Garcinia morella (batuan)
Cinncassiol A 19-glucoside
Cinncassiol A 19-glucoside is found in herbs and spices. Cinncassiol A 19-glucoside is a constituent of Cinnamomum species Constituent of Cinnamomum subspecies Cinncassiol A 19-glucoside is found in herbs and spices.
Fluperamide
Fluperamide, also known as R 18, belongs to the class of organic compounds known as diphenylmethanes. Diphenylmethanes are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups. Fluperamide is considered to be a practically insoluble (in water) and relatively neutral molecule. C78276 - Agent Affecting Digestive System or Metabolism > C266 - Antidiarrheal Agent
10-Deacetylbaccatin III
Etalocib
C308 - Immunotherapeutic Agent
Mimic A
Satratoxin G
10-Deacetylbaccatin
10-deacetylbaccatin III is a tetracyclic diterpenoid and a secondary alpha-hydroxy ketone. It is functionally related to a baccatin III. 10-Deacetylbaccatin III is a natural product found in Corylus avellana, Taxus wallichiana, and other organisms with data available. 10-Deacetylbaccatin-III is an intermediate for taxol analog preparations. IC50 value: Target: Taxols have exhibit antitumor agents. Several of these taxols can be synthesized from 10- Deacetylbaccatin-III. 10-Deacetylbaccine III is the fifth intermediate of paclitaxel biosynthesis. The biosynthetic pathway consists of approximately 20 enzymatic steps but is not fully elucidated. 10-Deacetylbaccine III is an antineoplastic agent and an anti-cancer intermediate. 10-Deacetylbaccatin-III is an intermediate for taxol analog preparations. IC50 value: Target: Taxols have exhibit antitumor agents. Several of these taxols can be synthesized from 10- Deacetylbaccatin-III. 10-Deacetylbaccine III is the fifth intermediate of paclitaxel biosynthesis. The biosynthetic pathway consists of approximately 20 enzymatic steps but is not fully elucidated. 10-Deacetylbaccine III is an antineoplastic agent and an anti-cancer intermediate.
Satratoxin G
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins CONFIDENCE isolated standard
(2S,3R,12S)-13-Deoxy-2,3-epoxy-2,3,7,8-tetrahydro-13-oxo-satratoxin H
Baccharinoid B 27
Methyl (2E)-3-[5-acetoxy-9-(3-furyl)-4-hydroxy-3,3,5a,9a-tetramethyl-7-oxododecahydro[2]benzofuro[5,4-f]oxireno[d]isochromen-11b(1H)-yl]acrylate
(E)-8,8-<1,4-dimethyl-3-cyclohexen-1,2-ylene vinylene>-bis-<5,7-dimethoxycoumarin>|mexolide|Toddasin
lancifodilactone G
A triterpenoid that is a nortriterpenoid isolated from Schisandra lancifolia and has been shown to exhibit anti-HIV activity.
tetragonolide-(2-methylbutyrate)|tetragonolide-<2-methylbutyrate>
(19Xi)-19,20-epoxy-2-hydroxy-4-methyl-16-(3t-phenyl-acryloyloxymethyl)-(2alpha,20betaH)-1,2,19,20-tetrahydro-4,5-seco-akuammilane-5,17-dioic acid 5-lactone 17-methyl ester|Lanciferin
2beta-acetoxy-4alpha-chloro-1beta,8-diangeloyloxy-3beta,10,11-trihydroxybisabol-7(14)-ene
C27H41ClO9 (544.2438966000001)
8,10-dihydroxydimethyl-2-methyl-(2E,6E)-octadienoyl catalpol
(19Xi)-19,20-epoxy-2-hydroxy-4-methyl-16-(3t-phenyl-acryloyloxymethyl)-(2alpha,20betaH)-1,2,19,20-tetrahydro-4,5-seco-akuammilane-5,17-dioic acid 5-lactone 17-methyl ester|Lanciferin|lanciferine
cipatrijugin H|methyl rel-[(4R,4aS,5S,6R,7aR,8S,10R,11aS,12aS)-10-(acetyloxy)-4-(furan-3-yl)-dodecahydro-5-hydroxy-4a,7a,9,9-tetramethyl-13-methylidene-2,7-dioxo-4H-6,12a-methanopyrano[4,3-b][1]benzoxocin-8-yl]acetate
1(10),4-germacradien-6,12-olide-15-O-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside|ainsliaolide C
(3R,3aR,4aS,5S,6S,8S,8aS,9S)-6-(acetyloxy)-5-[(benzoyloxy)methyl]-2,3,4,4a,5,6,7,8,8a,9-decahydro-3,5,8,9-tetrahydroxy-1,8a,12,12-tetramethyl-3a,9-(methanoxymethano)-3aH-benz[f]inden-10-one|tasumatrol P
(1S,4S,5R,6R,9S)-13-O-alpha-L-arabinofuranosyl-(1?6)-beta-D-glucopyranosyl-13-hydroxyallocedra-2,11-dione
2-[(3aR,3bR,4R,5S,7aS,8R,8aR)-1,3a,3b,4,5,6,7,7a,8,8a-decahydro-3a,3b,7a,8a-tetrahydroxy-3,5,8-trimethyl-10-oxo-4,8-(epoxyethano)cyclopenta[a]inden-2-yl]propyl beta-D-glucopyranoside|cinnacaside
(3R,3aR,4aS,5S,6S,8S,8aS,9S)-6-(acetyloxy)-2,3,4,4a,7,8,8a,9-octahydro-2,3,8,9-tetrahydroxy-1,8a,12,12-tetramethyl-2-phenylspiro[1,3-dioxolane-4,5(6H)-[3a,9](methanoxymethano)[3aH]benz[f]inden]-10-one|tasumatrol S
4-(9H-beta-carbolin-1-ylmethyl)-6-beta-D-glucopyranosyloxy-2-hydroxy-5-vinyl-tetrahydro-pyran-3-carboxylic acid methyl ester|Palinin|Palinine
20-acetoxy-15-(benzoyloxy)-2alpha,4alpha,5alpha,7beta-tetrahydroxy-9,10-dioxo-11(15->1)abeo-tax-11(12)-ene|taiwantaxin A
Phe Thr Tyr Asp
C29H36O10_2-Propenoic acid, 3-[5-(acetyloxy)-9-(3-furanyl)dodecahydro-4-hydroxy-3,3,5a,9a-tetramethyl-7-oxofuro[3,4:5,6]naphth[2,1-c]oxireno[d]pyran-11b(1H)-yl]-, methyl ester, (2E)
C26H40O12_7-Hydroxy-1-({3-O-[(2E)-8-hydroxy-2,6-dimethyl-2-octenoyl]-beta-D-glucopyranosyl}oxy)-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
methyl (2E)-3-[18-(acetyloxy)-7-(furan-3-yl)-17-hydroxy-1,8,15,15-tetramethyl-5-oxo-3,6,14-trioxapentacyclo[9.7.0.0²,⁴.0²,⁸.0¹²,¹⁶]octadecan-12-yl]prop-2-enoate
methyl (2E)-3-[18-(acetyloxy)-7-(furan-3-yl)-17-hydroxy-1,8,15,15-tetramethyl-5-oxo-3,6,14-trioxapentacyclo[9.7.0.0²,⁴.0²,⁸.0¹²,¹⁶]octadecan-12-yl]prop-2-enoate_major
methyl (2E)-3-[18-(acetyloxy)-7-(furan-3-yl)-17-hydroxy-1,8,15,15-tetramethyl-5-oxo-3,6,14-trioxapentacyclo[9.7.0.0²,⁴.0²,⁸.0¹²,¹⁶]octadecan-12-yl]prop-2-enoate_69.2\\%
methyl (2E)-3-[18-(acetyloxy)-7-(furan-3-yl)-17-hydroxy-1,8,15,15-tetramethyl-5-oxo-3,6,14-trioxapentacyclo[9.7.0.0²,⁴.0²,⁸.0¹²,¹⁶]octadecan-12-yl]prop-2-enoate_17.5\\%
methyl (2E)-3-[18-(acetyloxy)-7-(furan-3-yl)-17-hydroxy-1,8,15,15-tetramethyl-5-oxo-3,6,14-trioxapentacyclo[9.7.0.0²,?.0²,?.0¹²,¹?]octadecan-12-yl]prop-2-enoate
Ala Glu Tyr Tyr
Ala Tyr Glu Tyr
Ala Tyr Tyr Glu
Cys Glu Phe Phe
Cys Phe Glu Phe
Cys Phe Phe Glu
Cys Phe Ile Tyr
Cys Phe Leu Tyr
Cys Phe Tyr Ile
Cys Phe Tyr Leu
Cys Ile Phe Tyr
Cys Ile Tyr Phe
Cys Leu Phe Tyr
Cys Leu Tyr Phe
Cys Pro Tyr Tyr
Cys Tyr Phe Ile
Cys Tyr Phe Leu
Cys Tyr Ile Phe
Cys Tyr Leu Phe
Cys Tyr Pro Tyr
Cys Tyr Tyr Pro
Asp Phe Thr Tyr
Asp Phe Tyr Thr
Asp His His His
C22H28N10O7 (544.2142338000001)
Asp Pro Gln Trp
Asp Pro Trp Gln
Asp Gln Pro Trp
Asp Gln Trp Pro
Asp Thr Phe Tyr
Asp Thr Tyr Phe
Asp Trp Pro Gln
Asp Trp Gln Pro
Asp Tyr Phe Thr
Asp Tyr Thr Phe
Glu Ala Tyr Tyr
Glu Cys Phe Phe
Glu Phe Cys Phe
Glu Phe Phe Cys
Glu Phe Ser Tyr
Glu Phe Tyr Ser
Glu His Pro Tyr
Glu His Tyr Pro
Glu Asn Pro Trp
Glu Asn Trp Pro
Glu Pro His Tyr
Glu Pro Asn Trp
Glu Pro Trp Asn
Glu Pro Tyr His
Glu Ser Phe Tyr
Glu Ser Tyr Phe
Glu Trp Asn Pro
Glu Trp Pro Asn
Glu Tyr Ala Tyr
Glu Tyr Phe Ser
Glu Tyr His Pro
Glu Tyr Pro His
Glu Tyr Ser Phe
Glu Tyr Tyr Ala
Phe Cys Glu Phe
Phe Cys Phe Glu
Phe Cys Ile Tyr
Phe Cys Leu Tyr
Phe Cys Tyr Ile
Phe Cys Tyr Leu
Phe Asp Thr Tyr
Phe Asp Tyr Thr
Phe Glu Cys Phe
Phe Glu Phe Cys
Phe Glu Ser Tyr
Phe Glu Tyr Ser
Phe Phe Cys Glu
Phe Phe Glu Cys
Phe Phe Met Thr
Phe Phe Thr Met
Phe His Asn Gln
C24H32N8O7 (544.2393841999999)
Phe His Gln Asn
C24H32N8O7 (544.2393841999999)
Phe Ile Cys Tyr
Phe Ile Tyr Cys
Phe Leu Cys Tyr
Phe Leu Tyr Cys
Phe Met Phe Thr
Phe Met Thr Phe
Phe Asn His Gln
C24H32N8O7 (544.2393841999999)
Phe Asn Gln His
C24H32N8O7 (544.2393841999999)
Phe Gln His Asn
C24H32N8O7 (544.2393841999999)
Phe Gln Asn His
C24H32N8O7 (544.2393841999999)
Phe Ser Glu Tyr
Phe Ser Tyr Glu
Phe Thr Asp Tyr
Phe Thr Phe Met
Phe Thr Met Phe
Phe Tyr Cys Ile
Phe Tyr Cys Leu
Phe Tyr Asp Thr
Phe Tyr Glu Ser
Phe Tyr Ile Cys
Phe Tyr Leu Cys
Phe Tyr Ser Glu
Phe Tyr Thr Asp
Gly Pro Trp Trp
Gly Trp Pro Trp
Gly Trp Trp Pro
His Asp His His
C22H28N10O7 (544.2142338000001)
His Glu Pro Tyr
His Glu Tyr Pro
His Phe Asn Gln
C24H32N8O7 (544.2393841999999)
His Phe Gln Asn
C24H32N8O7 (544.2393841999999)
His His Asp His
C22H28N10O7 (544.2142338000001)
His His His Asp
C22H28N10O7 (544.2142338000001)
His Asn Phe Gln
C24H32N8O7 (544.2393841999999)
His Asn Gln Phe
C24H32N8O7 (544.2393841999999)
His Pro Glu Tyr
His Pro Tyr Glu
His Gln Phe Asn
C24H32N8O7 (544.2393841999999)
His Gln Asn Phe
C24H32N8O7 (544.2393841999999)
His Tyr Glu Pro
His Tyr Pro Glu
Ile Cys Phe Tyr
Ile Cys Tyr Phe
Ile Phe Cys Tyr
Ile Phe Tyr Cys
Ile Ser Tyr Tyr
Ile Tyr Cys Phe
Ile Tyr Phe Cys
Ile Tyr Ser Tyr
Ile Tyr Tyr Ser
Leu Cys Phe Tyr
Leu Cys Tyr Phe
Leu Phe Cys Tyr
Leu Phe Tyr Cys
Leu Ser Tyr Tyr
Leu Tyr Cys Phe
Leu Tyr Phe Cys
Leu Tyr Ser Tyr
Leu Tyr Tyr Ser
Met Phe Phe Thr
Met Phe Thr Phe
Met Met Thr Tyr
Met Met Tyr Thr
Met Thr Phe Phe
Met Thr Met Tyr
Met Thr Tyr Met
Met Tyr Met Thr
Met Tyr Thr Met
Asn Glu Pro Trp
Asn Glu Trp Pro
Asn Phe His Gln
C24H32N8O7 (544.2393841999999)
Asn Phe Gln His
C24H32N8O7 (544.2393841999999)
Asn His Phe Gln
C24H32N8O7 (544.2393841999999)
Asn His Gln Phe
C24H32N8O7 (544.2393841999999)
Asn Pro Glu Trp
Asn Pro Trp Glu
Asn Gln Phe His
C24H32N8O7 (544.2393841999999)
Asn Gln His Phe
C24H32N8O7 (544.2393841999999)
Asn Trp Glu Pro
Asn Trp Pro Glu
Pro Cys Tyr Tyr
Pro Asp Gln Trp
Pro Asp Trp Gln
Pro Glu His Tyr
Pro Glu Asn Trp
Pro Glu Trp Asn
Pro Glu Tyr His
Pro Gly Trp Trp
Pro His Glu Tyr
Pro His Tyr Glu
Pro Asn Glu Trp
Pro Asn Trp Glu
Pro Gln Asp Trp
Pro Gln Trp Asp
Pro Trp Asp Gln
Pro Trp Glu Asn
Pro Trp Gly Trp
Pro Trp Asn Glu
Pro Trp Gln Asp
Pro Trp Trp Gly
Pro Tyr Cys Tyr
Pro Tyr Glu His
Pro Tyr His Glu
Pro Tyr Tyr Cys
Gln Asp Pro Trp
Gln Asp Trp Pro
Gln Phe His Asn
C24H32N8O7 (544.2393841999999)
Gln Phe Asn His
C24H32N8O7 (544.2393841999999)
Gln His Phe Asn
C24H32N8O7 (544.2393841999999)
Gln His Asn Phe
C24H32N8O7 (544.2393841999999)
Gln Asn Phe His
C24H32N8O7 (544.2393841999999)
Gln Asn His Phe
C24H32N8O7 (544.2393841999999)
Gln Pro Asp Trp
Gln Pro Trp Asp
Gln Trp Asp Pro
Gln Trp Pro Asp
Ser Glu Phe Tyr
Ser Glu Tyr Phe
Ser Phe Glu Tyr
Ser Phe Tyr Glu
Ser Ile Tyr Tyr
Ser Leu Tyr Tyr
Ser Tyr Glu Phe
Ser Tyr Phe Glu
Ser Tyr Ile Tyr
Ser Tyr Leu Tyr
Ser Tyr Tyr Ile
Ser Tyr Tyr Leu
Thr Asp Phe Tyr
Thr Asp Tyr Phe
Thr Phe Asp Tyr
Thr Phe Phe Met
Thr Phe Met Phe
Thr Phe Tyr Asp
Thr Met Phe Phe
Thr Met Met Tyr
Thr Met Tyr Met
Thr Val Tyr Tyr
Thr Tyr Asp Phe
Thr Tyr Phe Asp
Thr Tyr Met Met
Thr Tyr Val Tyr
Thr Tyr Tyr Val
Val Thr Tyr Tyr
Val Tyr Thr Tyr
Val Tyr Tyr Thr
Trp Asp Pro Gln
Trp Asp Gln Pro
Trp Glu Asn Pro
Trp Glu Pro Asn
Trp Gly Pro Trp
Trp Gly Trp Pro
Trp Asn Glu Pro
Trp Asn Pro Glu
Trp Pro Asp Gln
Trp Pro Glu Asn
Trp Pro Gly Trp
Trp Pro Asn Glu
Trp Pro Gln Asp
Trp Pro Trp Gly
Trp Gln Asp Pro
Trp Gln Pro Asp
Trp Trp Gly Pro
Trp Trp Pro Gly
Tyr Ala Glu Tyr
Tyr Ala Tyr Glu
Tyr Cys Phe Ile
Tyr Cys Phe Leu
Tyr Cys Ile Phe
Tyr Cys Leu Phe
Tyr Cys Pro Tyr
Tyr Cys Tyr Pro
Tyr Asp Phe Thr
Tyr Asp Thr Phe
Tyr Glu Ala Tyr
Tyr Glu Phe Ser
Tyr Glu His Pro
Tyr Glu Pro His
Tyr Glu Ser Phe
Tyr Glu Tyr Ala
Tyr Phe Cys Ile
Tyr Phe Cys Leu
Tyr Phe Asp Thr
Tyr Phe Glu Ser
Tyr Phe Ile Cys
Tyr Phe Leu Cys
Tyr Phe Ser Glu
Tyr Phe Thr Asp
Tyr His Glu Pro
Tyr His Pro Glu
Tyr Ile Cys Phe
Tyr Ile Phe Cys
Tyr Ile Ser Tyr
Tyr Ile Tyr Ser
Tyr Leu Cys Phe
Tyr Leu Phe Cys
Tyr Leu Ser Tyr
Tyr Leu Tyr Ser
Tyr Met Met Thr
Tyr Met Thr Met
Tyr Pro Cys Tyr
Tyr Pro Glu His
Tyr Pro His Glu
Tyr Pro Tyr Cys
Tyr Ser Glu Phe
Tyr Ser Phe Glu
Tyr Ser Ile Tyr
Tyr Ser Leu Tyr
Tyr Ser Tyr Ile
Tyr Ser Tyr Leu
Tyr Thr Asp Phe
Tyr Thr Phe Asp
Tyr Thr Met Met
Tyr Thr Val Tyr
Tyr Thr Tyr Val
Tyr Val Thr Tyr
Tyr Val Tyr Thr
Tyr Tyr Ala Glu
Tyr Tyr Cys Pro
Tyr Tyr Glu Ala
Tyr Tyr Ile Ser
Tyr Tyr Leu Ser
Tyr Tyr Pro Cys
Tyr Tyr Ser Ile
Tyr Tyr Ser Leu
Tyr Tyr Thr Val
Tyr Tyr Val Thr
LY293111
Cinncassiol A 19-glucoside
5,5-dicyano-3-(4-sulfobutyl)-1,1,3-triethylimidacarbocyanine betaine
3-Pyridinecarbonitrile, 5-(2-cyano-4-nitrophenyl)azo-2-(2-hydroxyethyl)amino-4-methyl-6-3-(2-phenoxyethoxy)propylamino-
4,4-[4,4-Biphenyldiylbis(phenylimino)]dibenzaldehyde
5-O-Dimethoxytrityl-deoxythymidine
5'-O-DMT-dT (5'-O-(4,4'-Dimethoxytrityl)thymidine) is a nucleoside derivative which can be used in the preparation of oligonucleotides[1].
Lurasidone Inactive Metabolite 14283
C28H37ClN4O3S (544.2274762000001)
1,5-Methano-11H-furo(3,2-g)pyrano(3,2-b)xanthene-3a(4H)-crotonaldehyde, 1,2,5,7-tetrahydro-8-hydroxy-alpha,2,2,11,11-pentamethyl-13-(3-methyl-2-butenyl)-4,7-dioxo-, trans-
[2-[2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-enoyl]oxy-5-oxo-2,3,8,8a-tetrahydro-1H-indolizin-8-yl] 3-methoxybenzoate
Ananolignan I
A lignan with a dibenzocyclooctadiene skeleton isolated from Kadsura ananosma
Ananolignan H
A lignan with a dibenzocyclooctadiene skeleton isolated from Kadsura ananosma.
(2Z)-4-[(1R,3aS,5S,14aS)-8-hydroxy-3,3,11,11-tetramethyl-13-(3-methylbut-2-en-1-yl)-7,15-dioxo-3a,4,5,7-tetrahydro-3H,11H-1,5-methanofuro[3,4-g]pyrano[3,2-b]xanthen-1-yl]-2-methylbut-2-enal
7-Deacetyl-7-benzoylgedunin
A limonoid that is gedunin in which the acetoxy group at position 7 is replaced by a benzoyloxy group. Isolated from Azadirachta indica, it exhibits cytotoxic activity against HL60 leukemia cells.
19-Z-Gardfloramine-9-O-beta-D-glucopyranoside, (rel)-
A natural product found in Gardneria ovata.
N-cyclohexyl-2-[3-methoxy-N-(1-oxo-2-thiophen-2-ylethyl)-4-(1-tetrazolyl)anilino]-2-(4-methylphenyl)acetamide
methyl (1S,15S,16S,17S,21S)-17-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-18,23-dioxa-3,13-diazahexacyclo[13.7.1.01,13.02,10.04,9.016,21]tricosa-2(10),4,6,8,19-pentaene-20-carboxylate
(2R)-2-[(4S,5S)-8-[2-(2-fluorophenyl)ethynyl]-4-methyl-5-[[methyl(4-oxanylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2S)-2-[(4R,5R)-8-[2-(2-fluorophenyl)ethynyl]-4-methyl-5-[[methyl(4-oxanylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2S)-2-[(4S,5S)-8-[2-(2-fluorophenyl)ethynyl]-4-methyl-5-[[methyl(4-oxanylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2R)-2-[(4S,5R)-8-[2-(2-fluorophenyl)ethynyl]-4-methyl-5-[[methyl(4-oxanylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2S)-2-[(4S,5R)-8-[2-(2-fluorophenyl)ethynyl]-4-methyl-5-[[methyl(4-oxanylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2R)-2-[(4R,5S)-8-[2-(2-fluorophenyl)ethynyl]-4-methyl-5-[[methyl(4-oxanylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2R)-2-[(4R,5R)-8-[2-(2-fluorophenyl)ethynyl]-4-methyl-5-[[methyl(4-oxanylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2S)-2-[(4R,5S)-8-[2-(2-fluorophenyl)ethynyl]-4-methyl-5-[[methyl(4-oxanylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
[4-[Hydroxy(diphenyl)methyl]-1-piperidinyl]-[4-[hydroxy(diphenyl)methyl]-1-triazolyl]methanone
[1-[(2-acetyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoate
[1-acetyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] (3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoate
[1-Butanoyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] nonanoate
[1-[Hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-pentanoyloxypropan-2-yl] octanoate
[1-Hexanoyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] heptanoate
[1-[Hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-propanoyloxypropan-2-yl] decanoate
[1-Acetyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] undecanoate
Morellin
VHL-IN-1
VHL-IN-1 (compound 30) is a ubiquitin E3 ligase von Hippel-Lindau (VHL) inhibitor (dissociation constant Kd=37 nM) that stabilizes and induces HIF-1α transcriptional activity. VHL-IN-1 has potential as a HIF-1α stabilizer and degrader of proteolytically targeted chimeras (PROTACs)[1].
methyl 2-[(1r,2r,5r,6r,13s,14r,16s)-14-(acetyloxy)-6-[(5s)-5-hydroxy-2-oxo-5h-furan-3-yl]-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.0²,¹¹.0⁵,¹⁰]heptadec-10-en-16-yl]acetate
(3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(pentan-2-yloxy)oxan-2-yl]methoxy}oxolan-3-yl)methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
2-[(1s,2r,4r,4ar,6r,8r,8as)-4-(acetyloxy)-8-(benzoyloxy)-1-(carboxymethyl)-6-ethenyl-4a-hydroxy-1,6-dimethyl-5-oxo-hexahydronaphthalen-2-yl]-2-methylpropanoic acid
methyl (4s,5s,6s)-5-ethenyl-4-{[(1s)-2-methyl-1h,3h,4h,9h-pyrido[3,4-b]indol-1-yl]methyl}-6-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylate
1-[2,6-bis(2h-1,3-benzodioxol-5-yl)-5-(piperidine-1-carbonyl)cyclohex-3-ene-1-carbonyl]piperidine
C32H36N2O6 (544.2573236000001)
methyl (2r)-2-[(1r,2s,5r,6r,13r,14s,16s)-14-(acetyloxy)-6-(furan-3-yl)-13-hydroxy-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.0²,¹¹.0⁵,¹⁰]heptadec-10-en-16-yl]-2-hydroxyacetate
(9s)-4,6-dimethoxy-8-[2-(4-methoxyphenyl)ethyl]-9-[(4-methoxyphenyl)methyl]-9h-xanthene-2,3,5-triol
methyl (4s,5r,6s)-5-ethenyl-4-{[(1s)-2-methyl-1h,3h,4h,9h-pyrido[3,4-b]indol-1-yl]methyl}-6-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylate
(1r,3s)-5,9-dimethoxy-1,3-dimethyl-5-[(6s)-1,6,9-trihydroxy-6-methyl-8-oxo-5,7-dihydroanthracen-2-yl]-1h,3h,4h-naphtho[2,3-c]pyran-10-one
2-[2-(acetyloxy)-5-chloro-4-hydroxy-4-methyl-3-[(2-methylbut-2-enoyl)oxy]cyclohexyl]-5,6-dihydroxy-6-methylhept-1-en-3-yl 2-methylbut-2-enoate
C27H41ClO9 (544.2438966000001)
(1'z,2r,6'r,11'r,13'r,15'r,16'r,19'z,23's,27'r)-23'-acetyl-27'-hydroxy-9'-(hydroxymethyl)-15'-methyl-4',12',17',24'-tetraoxaspiro[oxirane-2,14'-pentacyclo[21.3.1.1¹³,¹⁶.0⁶,¹¹.0⁶,¹⁵]octacosane]-1',9',19'-triene-3',18'-dione
(1r,2s,3r,4s,5s,7s,8s,9s)-4-[(acetyloxy)methyl]-4,5,7,9-tetrahydroxy-8,11,14,14-tetramethyl-16-oxo-15-oxatetracyclo[7.4.3.0¹,¹⁰.0³,⁸]hexadec-10-en-2-yl benzoate
6,11-dihydroxy-3,7-dimethyl-8-(5-oxo-2h-furan-3-yl)-18,20,24,26,28-pentaoxaheptacyclo[15.11.0.0³,¹⁵.0⁴,¹².0⁷,¹¹.0¹⁹,²⁷.0²³,²⁷]octacos-15-en-5-one
(1r,3s,7s,10r,12r,13s,15r,17s,18r,21s,22r,23r,25r,29r)-12-hydroxy-9,9,18,23,25-pentamethyl-4,8,16,20,28-pentaoxaoctacyclo[13.12.1.1¹⁵,²².0¹,¹³.0³,⁷.0³,¹⁰.0¹⁷,²¹.0²⁵,²⁹]nonacosane-5,14,19,24-tetrone
methyl 2-(acetyloxy)-2-[6-(furan-3-yl)-10-hydroxy-1,5,15,15-tetramethyl-8,17-dioxo-7,18-dioxapentacyclo[11.3.1.1¹¹,¹⁴.0²,¹¹.0⁵,¹⁰]octadecan-16-yl]acetate
[1-(furan-3-yl)-5-hydroxy-8a-methyl-3,6-dioxo-tetrahydro-1h-2-benzopyran-5-yl][4-(2-methoxy-2-oxoethyl)-3,3,5-trimethyl-6-oxocyclohex-1-en-1-yl]methyl acetate
(1'r,2s,3's,5r,5's,7's,8's,9's,13'r)-5,7',9',13'-tetrahydroxy-8',11',14',14'-tetramethyl-16'-oxo-5-phenyl-15'-oxaspiro[1,4-dioxolane-2,4'-tetracyclo[7.4.3.0¹,¹⁰.0³,⁸]hexadecan]-10'-en-5'-yl acetate
methyl (2r,3r,4s,5s,6r)-5-ethenyl-2-hydroxy-4-{9h-pyrido[3,4-b]indol-1-ylmethyl}-6-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-3-carboxylate
methyl (4s,5r,6s)-5-ethenyl-4-{[(1r)-2-methyl-1h,3h,4h,9h-pyrido[3,4-b]indol-1-yl]methyl}-6-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylate
(1s,2s,3r,4s,7r,9s,10s,11r,12r)-4-(acetyloxy)-1,9,11,12-tetrahydroxy-10,14,17,17-tetramethyl-15-oxo-6-oxatetracyclo[11.3.1.0³,¹⁰.0⁴,⁷]heptadec-13-en-2-yl benzoate
methyl 5-ethenyl-2-hydroxy-4-{9h-pyrido[3,4-b]indol-1-ylmethyl}-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-3-carboxylate
(3s,5s)-2-[(1s,2r,3r,4r,5r)-2-(acetyloxy)-5-chloro-4-hydroxy-4-methyl-3-{[(2z)-2-methylbut-2-enoyl]oxy}cyclohexyl]-5,6-dihydroxy-6-methylhept-1-en-3-yl (2z)-2-methylbut-2-enoate
C27H41ClO9 (544.2438966000001)