Exact Mass: 513.2145
Exact Mass Matches: 513.2145
Found 500 metabolites which its exact mass value is equals to given mass value 513.2145
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Feudomycin A
An aminoglycoside antibiotic that is (1S,3S)-3-ethyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene having a 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl residue attached at position 1 via a glycosidic linkage.
Validamycin B
Active against rice sheath blight disease and Pellicularia sasakii. Active against rice sheath blight disease and Pellicularia sasakii
trans-Zeatin-O-glucoside riboside
Cytokinin, widely distributed in plants.Zeatin is a plant hormone derived from the purine adenine. It is a member of the plant growth hormone family known as cytokinins. Zeatin was first discovered in immature corn kernels from the genus Zea. Zeatin and derivatives were discovered to be the primary active ingredient in coconut milk, which has long been known to actively induce plant growth. ; As in the case of kinetin, zeatin has also been reported to have several in vitro anti-aging effects on human skin fibroblasts.(Wikipedia). Cytokinin, widely distributed in plants [DFC]
Encaleret
Toddacoumalone
Toddacoumalone is a natural product found in Zanthoxylum asiaticum with data available.
Daunomycin-11-Deoxy, 13-alcohol|Daunomycin-11-Deoxy, 13-alcohol; B,HCl
3alpha-(3,4,5-trimethoxycinnamoyloxy)tropan-6beta-benzoyloxy-7-beta-acetoxytropane
Ser Asp His Arg
1,2-bis(heptanoylthio) Glycerophosphocholine
His Gln Thr Glu
His Thr Gln Glu
Trans-Zeatin-riboside-O-glucoside
Acquisition and generation of the data is financially supported by the Max-Planck-Society
Cis-Zeatin-riboside-O-glucoside
Acquisition and generation of the data is financially supported by the Max-Planck-Society
Trans-Zeatin-riboside-o-glucoside-[d5]
Acquisition and generation of the data is financially supported by the Max-Planck-Society
C28H35NO8_2-[1-Hydroxy-1,4-dimethyl-4-(4-methyl-3-penten-1-yl)-7-oxo-2,3,3a,4,7,9,10a,10b-octahydro-5,10-dioxa-8-azadicyclopenta[b,def]phenanthren-8(1H)-yl]pentanedioic acid
Ala Phe Asn Tyr
Ala Phe Tyr Asn
Ala His Thr Trp
Ala His Trp Thr
Ala Asn Phe Tyr
Ala Asn Tyr Phe
Ala Thr His Trp
Ala Thr Trp His
Ala Trp His Thr
Ala Trp Thr His
Ala Tyr Phe Asn
Ala Tyr Asn Phe
Cys Lys Thr Tyr
Cys Lys Tyr Thr
Cys Gln Thr Tyr
Cys Gln Tyr Thr
Cys Thr Lys Tyr
Cys Thr Gln Tyr
Cys Thr Tyr Lys
Cys Thr Tyr Gln
Cys Tyr Lys Thr
Cys Tyr Gln Thr
Cys Tyr Thr Lys
Cys Tyr Thr Gln
Asp Asp His Lys
Asp Asp Lys His
Asp Gly His Trp
Asp Gly Trp His
Asp His Asp Lys
Asp His Gly Trp
Asp His Lys Asp
Asp His Arg Ser
Asp His Ser Arg
Asp His Trp Gly
Asp Lys Asp His
Asp Lys His Asp
Asp Pro Pro Trp
Asp Pro Trp Pro
Asp Arg His Ser
Asp Arg Ser His
Asp Ser His Arg
Asp Ser Arg His
Asp Trp Gly His
Asp Trp His Gly
Asp Trp Pro Pro
Glu His Gln Thr
Glu His Thr Gln
Glu Gln His Thr
Glu Gln Thr His
Glu Thr His Gln
Glu Thr Gln His
Phe Ala Asn Tyr
Phe Ala Tyr Asn
Phe Phe Asn Ser
Phe Phe Ser Asn
Phe Gly Gln Tyr
Phe Gly Tyr Gln
Phe His Asn Pro
Phe His Pro Asn
Phe Asn Ala Tyr
Phe Asn Phe Ser
Phe Asn His Pro
Phe Asn Pro His
Phe Asn Ser Phe
Phe Asn Tyr Ala
Phe Pro His Asn
Phe Pro Asn His
Phe Gln Gly Tyr
Phe Gln Tyr Gly
Phe Ser Phe Asn
Phe Ser Asn Phe
Phe Tyr Ala Asn
Phe Tyr Gly Gln
Phe Tyr Asn Ala
Phe Tyr Gln Gly
Gly Asp His Trp
Gly Asp Trp His
Gly Phe Gln Tyr
Gly Phe Tyr Gln
Gly His Asp Trp
Gly His Trp Asp
Gly Gln Phe Tyr
Gly Gln Tyr Phe
Gly Trp Asp His
Gly Trp His Asp
Gly Tyr Phe Gln
Gly Tyr Gln Phe
His Ala Thr Trp
His Ala Trp Thr
His Asp Asp Lys
His Asp Gly Trp
His Asp Lys Asp
His Asp Arg Ser
His Asp Ser Arg
His Asp Trp Gly
His Glu Gln Thr
His Glu Thr Gln
His Phe Asn Pro
His Phe Pro Asn
His Gly Asp Trp
His Gly Trp Asp
His Ile Met Asn
His Ile Asn Met
His Lys Asp Asp
His Leu Met Asn
His Leu Asn Met
His Met Ile Asn
His Met Leu Asn
His Met Asn Ile
His Met Asn Leu
His Met Gln Val
His Met Val Gln
His Asn Phe Pro
His Asn Ile Met
His Asn Leu Met
His Asn Met Ile
His Asn Met Leu
His Asn Pro Phe
His Pro Phe Asn
His Pro Asn Phe
His Gln Glu Thr
His Gln Met Val
His Gln Val Met
His Arg Asp Ser
His Arg Ser Asp
His Ser Asp Arg
His Ser Arg Asp
His Thr Ala Trp
His Thr Glu Gln
His Thr Trp Ala
His Val Met Gln
His Val Gln Met
His Trp Ala Thr
His Trp Asp Gly
His Trp Gly Asp
His Trp Thr Ala
Ile His Met Asn
Ile His Asn Met
Ile Met His Asn
Ile Met Asn His
Ile Asn His Met
Ile Asn Met His
Lys Cys Thr Tyr
Lys Cys Tyr Thr
Lys Asp Asp His
Lys Asp His Asp
Lys His Asp Asp
Lys Thr Cys Tyr
Lys Thr Tyr Cys
Lys Tyr Cys Thr
Lys Tyr Thr Cys
Leu His Met Asn
Leu His Asn Met
Leu Met His Asn
Leu Met Asn His
Leu Asn His Met
Leu Asn Met His
Met His Ile Asn
Met His Leu Asn
Met His Asn Ile
Met His Asn Leu
Met His Gln Val
Met His Val Gln
Met Ile His Asn
Met Ile Asn His
Met Leu His Asn
Met Leu Asn His
Met Asn His Ile
Met Asn His Leu
Met Asn Ile His
Met Asn Leu His
Met Asn Ser Tyr
Met Asn Tyr Ser
Met Gln His Val
Met Gln Val His
Met Ser Asn Tyr
Met Ser Tyr Asn
Met Val His Gln
Met Val Gln His
Met Tyr Asn Ser
Met Tyr Ser Asn
Asn Ala Phe Tyr
Asn Ala Tyr Phe
Asn Phe Ala Tyr
Asn Phe Phe Ser
Asn Phe His Pro
Asn Phe Pro His
Asn Phe Ser Phe
Asn Phe Tyr Ala
Asn His Phe Pro
Asn His Ile Met
Asn His Leu Met
Asn His Met Ile
Asn His Met Leu
Asn His Pro Phe
Asn Ile His Met
Asn Ile Met His
Asn Leu His Met
Asn Leu Met His
Asn Met His Ile
Asn Met His Leu
Asn Met Ile His
Asn Met Leu His
Asn Met Ser Tyr
Asn Met Tyr Ser
Asn Pro Phe His
Asn Pro His Phe
Asn Ser Phe Phe
Asn Ser Met Tyr
Asn Ser Tyr Met
Asn Tyr Ala Phe
Asn Tyr Phe Ala
Asn Tyr Met Ser
Asn Tyr Ser Met
Pro Asp Pro Trp
Pro Asp Trp Pro
Pro Phe His Asn
Pro Phe Asn His
Pro His Phe Asn
Pro His Asn Phe
Pro Asn Phe His
Pro Asn His Phe
Pro Pro Asp Trp
Pro Pro Trp Asp
Pro Trp Asp Pro
Pro Trp Pro Asp
Gln Cys Thr Tyr
Gln Cys Tyr Thr
Gln Glu His Thr
Gln Glu Thr His
Gln Phe Gly Tyr
Gln Phe Tyr Gly
Gln Gly Phe Tyr
Gln Gly Tyr Phe
Gln His Glu Thr
Gln His Met Val
Gln His Thr Glu
Gln His Val Met
Gln Met His Val
Gln Met Val His
Gln Thr Cys Tyr
Gln Thr Glu His
Gln Thr His Glu
Gln Thr Tyr Cys
Gln Val His Met
Gln Val Met His
Gln Tyr Cys Thr
Gln Tyr Phe Gly
Gln Tyr Gly Phe
Gln Tyr Thr Cys
Arg Asp His Ser
Arg Asp Ser His
Arg His Asp Ser
Arg His Ser Asp
Arg Ser Asp His
Arg Ser His Asp
Ser Asp Arg His
Ser Phe Phe Asn
Ser Phe Asn Phe
Ser His Asp Arg
Ser His Arg Asp
Ser Met Asn Tyr
Ser Met Tyr Asn
Ser Asn Phe Phe
Ser Asn Met Tyr
Ser Asn Tyr Met
Ser Arg Asp His
Ser Arg His Asp
Ser Tyr Met Asn
Ser Tyr Asn Met
Thr Ala His Trp
Thr Ala Trp His
Thr Cys Lys Tyr
Thr Cys Gln Tyr
Thr Cys Tyr Lys
Thr Cys Tyr Gln
Thr Glu His Gln
Thr Glu Gln His
Thr His Ala Trp
Thr His Glu Gln
Thr His Gln Glu
Thr His Trp Ala
Thr Lys Cys Tyr
Thr Lys Tyr Cys
Thr Gln Cys Tyr
Thr Gln Glu His
Thr Gln His Glu
Thr Gln Tyr Cys
Thr Trp Ala His
Thr Trp His Ala
Thr Tyr Cys Lys
Thr Tyr Cys Gln
Thr Tyr Lys Cys
Thr Tyr Gln Cys
Val His Met Gln
Val His Gln Met
Val Met His Gln
Val Met Gln His
Val Gln His Met
Val Gln Met His
Trp Ala His Thr
Trp Ala Thr His
Trp Asp Gly His
Trp Asp His Gly
Trp Asp Pro Pro
Trp Gly Asp His
Trp Gly His Asp
Trp His Ala Thr
Trp His Asp Gly
Trp His Gly Asp
Trp His Thr Ala
Trp Pro Asp Pro
Trp Pro Pro Asp
Trp Thr Ala His
Trp Thr His Ala
Tyr Ala Phe Asn
Tyr Ala Asn Phe
Tyr Cys Lys Thr
Tyr Cys Gln Thr
Tyr Cys Thr Lys
Tyr Cys Thr Gln
Tyr Phe Ala Asn
Tyr Phe Gly Gln
Tyr Phe Asn Ala
Tyr Phe Gln Gly
Tyr Gly Phe Gln
Tyr Gly Gln Phe
Tyr Lys Cys Thr
Tyr Lys Thr Cys
Tyr Met Asn Ser
Tyr Asn Ala Phe
Tyr Asn Phe Ala
Tyr Gln Phe Gly
Tyr Gln Gly Phe
Tyr Thr Cys Lys
Tyr Thr Lys Cys
trans-Zeatin-O-glucoside riboside
Validamycin B
A member of the class of validamycins that is validamycin A in which the pro-R hydrogen at the unsubstituted position of the cycloxexane ring has been replaced by a hydroxy group.
2-[1-Hydroxy-1,4-dimethyl-4-(4-methyl-3-penten-1-yl)-7-oxo-2,3,3a,4,7,9,10a,10b-octahydro-5,10-dioxa-8-azadicyclopenta[b,def]phenanthren-8(1H)-yl]pentanedioic acid
buta-1,3-diene,2-(chloromethyl)oxirane,4-[2-(4-hydroxyphenyl)propan-2-yl]phenol,2-methylprop-2-enoic acid,prop-2-enenitrile
1H-Pyrrolo[2,3-b]pyridine, 3-(1H-indol-6-yl)-1-[(4-Methylphenyl)sulfonyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
5-[(2R)-2-Aminopropyl]-1-[3-(benzoyloxy)propyl]-2,3-dihydro-1H-indole-7-carbonitrile (2R,3R)-2,3-dihydroxybutanedioate
Encaleret
C78281 - Agent Affecting Musculoskeletal System
2-(4-methyl-1,4-diazepan-1-yl)-N-((5-methylpyrazin-2-yl)methyl)-5-oxo-5H-benzo[4,5]thiazolo[3,2-a][1,8]naphthyridine-6-carboxamide
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C471 - Enzyme Inhibitor > C25995 - RNA Polymerase Inhibitor
(2R,3R,4S,5S,6R)-2-(((E)-4-((9-((2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-9H-purin-6-yl)amino)-2-methylbut-2-en-1-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
2-acetamido-N-[(2S,4R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-methoxyphenyl)propanamide
alpha-L-colitosyl-(1->2)-beta-D-galactosyl-(1->3)-N-acetyl-D-glucosamine
5,7-Dimethoxy-4-methyl-8-[3-(4-morpholinyl)-1-(3,4,5-trimethoxyphenyl)propyl]-1-benzopyran-2-one
1-[4-[4-(3-Chlorophenyl)-1-piperazinyl]butyl]-3-(diphenylmethylene)pyrrolidine-2,5-dione
2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-6-deoxy-alpha-L-mannopyranosyl-(1->3)-6-deoxy-alpha-L-mannopyranose
6-deoxy-alpha-L-mannopyranosyl-(1->3)-6-deoxy-alpha-L-mannopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-glucopyranose
alpha-L-rhamnosyl-(1->3)-N-acetyl-beta-D-glucosaminyl-(1->2)-alpha-L-rhamnose
6-deoxy-alpha-L-galactopyranosyl-(1->2)-6-deoxy-alpha-L-galactopyranosyl-(1->3)-2-(acetylamino)-2-deoxy-beta-D-glucopyranose
(2S)-2-[(4S,5S)-8-(2-fluorophenyl)-4-methyl-5-[[methyl(3-pyridinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
N-[[(4R,5S)-8-(1-cyclopentenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-pyridin-4-ylacetamide
[(1R)-2-(cyclopropylmethyl)-1-(3-fluorophenyl)sulfonyl-7-methoxy-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4-piperidine]yl]methanol
1-[[(4S,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-8-(3-methylbut-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methyl-3-phenylurea
(2S)-2-[(4R,5S)-8-(2-fluorophenyl)-4-methyl-5-[[methyl(3-pyridinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2R)-2-[(4S,5R)-8-(2-fluorophenyl)-4-methyl-5-[[methyl(3-pyridinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2S)-2-[(4S,5R)-8-(2-fluorophenyl)-4-methyl-5-[[methyl(3-pyridinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2R)-2-[(4R,5R)-8-(2-fluorophenyl)-4-methyl-5-[[methyl(3-pyridinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
N-[(1S,3S,4aR,9aS)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]-2-pyridin-4-ylacetamide
N-[(1S,3R,4aR,9aS)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]-2-pyridin-4-ylacetamide
N-[(2S,4aR,12aS)-5-methyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-1,3-thiazole-4-carboxamide
(2S)-2-[(4R,5R)-8-(2-fluorophenyl)-4-methyl-5-[[methyl(3-pyridinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2R)-2-[(4R,5S)-8-(2-fluorophenyl)-4-methyl-5-[[methyl(3-pyridinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2R)-2-[(4S,5S)-8-(2-fluorophenyl)-4-methyl-5-[[methyl(3-pyridinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
N-[(1S,3S,4aS,9aR)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]-2-pyridin-4-ylacetamide
N-[(1S,3R,4aS,9aR)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-pyridin-4-ylacetamide
N-[(1R,3S,4aS,9aR)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]-2-pyridin-4-ylacetamide
N-[(2S,4aR,12aR)-5-methyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-1,3-thiazole-4-carboxamide
N-[(2R,4aR,12aS)-5-methyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-1,3-thiazole-4-carboxamide
1-[[(4S,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-8-(3-methylbut-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methyl-3-phenylurea
1-[[(4S,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-8-(3-methylbut-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methyl-3-phenylurea
N-[[(4S,5S)-8-(1-cyclopentenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-pyridin-4-ylacetamide
N-[[(10R,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N-methylmethanesulfonamide
N-[(1R,3R,4aR,9aS)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-pyridin-4-ylacetamide
N-[(1R,3S,4aR,9aS)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-pyridin-4-ylacetamide
2-[(1R,3R,4aR,9aS)-6-[[(cyclopentylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide
2-[(1R,3S,4aR,9aS)-6-[[(cyclopentylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide
2-[(1R,3S,4aS,9aR)-6-[[(cyclopentylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide
N-[(2S,4aS,12aS)-5-methyl-2-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-thiazolecarboxamide
N-[(2R,4aS,12aS)-5-methyl-2-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-thiazolecarboxamide
N-[[(10R,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N-methylmethanesulfonamide
N-[[(10S,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N-methylmethanesulfonamide
N-[[(10S,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N-methylmethanesulfonamide
[(1R)-7-methoxy-2-[(3-methoxyphenyl)methyl]-9-methyl-1-methylsulfonyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,4-piperidine]yl]methanol
1-[[(4R,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-8-(3-methylbut-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methyl-3-phenylurea
1-[[(4R,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-8-(3-methylbut-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methyl-3-phenylurea
1-[[(4R,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-8-(3-methylbut-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methyl-3-phenylurea
1-[[(4R,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-8-(3-methylbut-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methyl-3-phenylurea
1-[[(4S,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-8-(3-methylbut-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methyl-3-phenylurea
N-[[(4R,5R)-8-(1-cyclopentenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-pyridin-4-ylacetamide
N-[[(4S,5R)-8-(1-cyclopentenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-pyridin-4-ylacetamide
N-[[(10R,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N-methylmethanesulfonamide
N-[[(10S,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N-methylmethanesulfonamide
N-[[(10S,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N-methylmethanesulfonamide
N-[(1R,3R,4aS,9aR)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-pyridin-4-ylacetamide
2-[(1S,3S,4aS,9aR)-6-[[(cyclopentylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide
2-[(1S,3R,4aS,9aR)-6-[[(cyclopentylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide
2-[(1R,3R,4aS,9aR)-6-[[(cyclopentylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide
2-[(1S,3R,4aR,9aS)-6-[[(cyclopentylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide
N-[(2S,4aS,12aR)-5-methyl-2-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-thiazolecarboxamide
N-[(2R,4aR,12aR)-5-methyl-2-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-thiazolecarboxamide
N-[(2R,4aS,12aR)-5-methyl-2-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-thiazolecarboxamide
[(1S)-7-methoxy-2-[(3-methoxyphenyl)methyl]-9-methyl-1-methylsulfonyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,4-piperidine]yl]methanol
[(1R)-2-(1,3-benzodioxol-5-ylmethyl)-1-ethylsulfonyl-7-methoxy-9-methyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]yl]methanol
[(1S)-2-(1,3-benzodioxol-5-ylmethyl)-1-ethylsulfonyl-7-methoxy-9-methyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]yl]methanol
2-(hydroxymethyl)-6-{[2,3,5-trihydroxy-6-(hydroxymethyl)-4-{[4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}cyclohexyl]oxy}oxane-3,4,5-triol
CCT196969
CCT196969 is a pan-Raf inhibitor, which inhibits B-Raf, BRafV600E and CRAF with IC50s of 0.1, 0.04, and 0.01 μM, respectively.
HAEGT
HAEGT is the first N-terminal 1-5 residues of glucagon like peptide-1 (GLP-1) peptide, and the sequence is His-Ala-Glu-Gly-Thr. HAEGT acts as a competitive substrate for probing prime substrate binding sites of human dipeptidyl peptidase-IV (DPP-IV) 1, in which the N-terminal His-Ala is catalyzed cleavage by DPP-IV. HAEGT can be used in the research of diabetes, obesity[1].
10-[(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy]-8,11-dihydroxy-8-(1-hydroxyethyl)-1-methoxy-9,10-dihydro-7h-tetracene-5,12-dione
10-bromo-n-(5-ethyl-5-methyl-2-oxofuran-3-yl)-3,9-dihydroxyoctadeca-4,6-dienimidic acid
(2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-{[(1s,2r,4r,5r,6r)-2,5,6-trihydroxy-2-(hydroxymethyl)-4-{[(1r,4r,5r,6s)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}cyclohexyl]oxy}oxane-3,4,5-triol
anhydroharringtonine
{"Ingredient_id": "HBIN016160","Ingredient_name": "anhydroharringtonine","Alias": "NA","Ingredient_formula": "C28H35NO8","Ingredient_Smile": "CC1(CCC(O1)(CC(=O)OC)C(=O)OC2C3C4=CC5=C(C=C4CCN6C3(CCC6)C=C2OC)OCO5)C","Ingredient_weight": "513.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1270","TCMSP_id": "NA","TCM_ID_id": "19543","PubChem_id": "101022088","DrugBank_id": "NA"}
anhydroxyharringtonine
{"Ingredient_id": "HBIN016177","Ingredient_name": "anhydroxyharringtonine","Alias": "NA","Ingredient_formula": "C28H35NO8","Ingredient_Smile": "CC1(CCC(O1)(CC(=O)OC)C(=O)OC2C3C4=CC5=C(C=C4CCN6C3(CCC6)C=C2OC)OCO5)C","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "24975","TCMSP_id": "NA","TCM_ID_id": "6764","PubChem_id": "NA","DrugBank_id": "NA"}