Exact Mass: 536.2188094
Exact Mass Matches: 536.2188094
Found 500 metabolites which its exact mass value is equals to given mass value 536.2188094
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Gomisin G
Gomisin G is a natural product found in Kadsura heteroclita, Schisandra henryi, and other organisms with data available. See also: Schisandra chinensis fruit (part of). Gomisin G is an ethanolic extract of the stems of Kadsura interior; exhibits potent anti-HIV activity with EC50 and therapeutic index (TI) values of 0.006 microgram/mL and 300, respectively. Gomisin G is an ethanolic extract of the stems of Kadsura interior; exhibits potent anti-HIV activity with EC50 and therapeutic index (TI) values of 0.006 microgram/mL and 300, respectively.
Lappaol D
Lappaol d is a member of the class of compounds known as 2-arylbenzofuran flavonoids. 2-arylbenzofuran flavonoids are phenylpropanoids containing the 2-phenylbenzofuran moiety. Lappaol d is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Lappaol d can be found in burdock, which makes lappaol d a potential biomarker for the consumption of this food product. Lappaol A is a member of benzofurans. 2(3H)-Furanone, 4-(((2S,3R)-2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-5-benzofuranyl)methyl)dihydro-3-((4-hydroxy-3-methoxyphenyl)methyl)-, (3R,4R)- is a natural product found in Saussurea macrota, Centaurea napifolia, and other organisms with data available. See also: Arctium lappa fruit (part of).
gomisin C
Schizandrer A is a natural product found in Schisandra bicolor and Schisandra sphenanthera with data available. Schisantherin A is a dibenzocyclooctadiene lignan. Schisantherin A inhibits p65-NF-κB translocation into the nucleus by IκBα degradation. Schisantherin A is a dibenzocyclooctadiene lignan. Schisantherin A inhibits p65-NF-κB translocation into the nucleus by IκBα degradation.
Quassimarin
Quassimarin is a constituent of Quassia amara (Surinam quassia). Constituent of Quassia amara (Surinam quassia)
Aldosterone 18-glucuronide
Aldosterone 18-glucuronide is a natural human metabolite of Aldosterone generated in the liver by UDP glucuonyltransferase. Glucuronidation is used to assist in the excretion of toxic substances, drugs or other substances that cannot be used as an energy source. Glucuronic acid is attached via a glycosidic bond to the substance, and the resulting glucuronide, which has a much higher water solubility than the original substance, is eventually excreted by the kidneys. Aldosterone 18-glucuronide is a natural human metabolite of Aldosterone generated in the liver by UDP glucuonyltransferase. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Tinocrisposide
Aminoacylase
Levosemotiadil
Mecapegfilgrastim
Pemptoporphyrin
C32H32N4O4 (536.2423431999999)
Schisantherin
Lappaol A
Lappaol a is a member of the class of compounds known as 2-arylbenzofuran flavonoids. 2-arylbenzofuran flavonoids are phenylpropanoids containing the 2-phenylbenzofuran moiety. Lappaol a is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Lappaol a can be found in burdock, which makes lappaol a a potential biomarker for the consumption of this food product.
Isolappaol A
Isolappaol a is a member of the class of compounds known as 2-arylbenzofuran flavonoids. 2-arylbenzofuran flavonoids are phenylpropanoids containing the 2-phenylbenzofuran moiety. Isolappaol a is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Isolappaol a can be found in burdock, which makes isolappaol a a potential biomarker for the consumption of this food product.
Gomisin
Schisantherin A is a tannin. Schisantherin A is a natural product found in Kadsura heteroclita, Schisandra henryi, and other organisms with data available. See also: Schisandra chinensis fruit (part of). Gomisin G is an ethanolic extract of the stems of Kadsura interior; exhibits potent anti-HIV activity with EC50 and therapeutic index (TI) values of 0.006 microgram/mL and 300, respectively. Gomisin G is an ethanolic extract of the stems of Kadsura interior; exhibits potent anti-HIV activity with EC50 and therapeutic index (TI) values of 0.006 microgram/mL and 300, respectively. Schisantherin A is a dibenzocyclooctadiene lignan. Schisantherin A inhibits p65-NF-κB translocation into the nucleus by IκBα degradation. Schisantherin A is a dibenzocyclooctadiene lignan. Schisantherin A inhibits p65-NF-κB translocation into the nucleus by IκBα degradation.
Lappaol A
Lappaol A is a member of benzofurans. 2(3H)-Furanone, 4-(((2S,3R)-2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-5-benzofuranyl)methyl)dihydro-3-((4-hydroxy-3-methoxyphenyl)methyl)-, (3R,4R)- is a natural product found in Saussurea macrota, Centaurea napifolia, and other organisms with data available. See also: Arctium lappa fruit (part of).
methyl 1alpha,2beta,3alpha,6,8alpha,14beta-hexahydroxy-[4.2.110,30.11,4]-tricyclomeliac-7-oate
1,9-Dibenzoyl,1-Ac-1,2,4,9-Tetrahydroxydihydro-beta-agarofuran
(2R,3R,4S)-(+)-3alpha-O-alpha-L-rhamnopyranosyl-5-methoxyisolariciresinol
(1R,4S,5S,6R,7R,9S,10S)-1-acetoxy-6,9-dibenzoyloxy-14-hydroxydihydro-beta-agarofuran
(1R,4R,6S,9R)-1alpha-acetoxy-6beta,9beta-dibenzoyloxy-4beta-hydroxy-dihydroagarofuran
(-)-5-methoxyisolariciresinol-9-O-alpha-L-rhamnopyranoside
(1S,2S,7S,8R,9S,10S,14S,17R)-2,9,14-triacetoxy-8-hydroxybriaran-5(6)-dien-18,7-olide|frajunolide Q
(-)-(3S,7S)-3-hydroxyericanone 3-O-beta-D-glucopyranoside
9alpha-hydroxy-3beta-(3-hydroxy-2-methylbutyryloxy)-trixikingolide-3-acetoxyisovalerate|9alpha-hydroxy-3beta-<3-hydroxy-2-methylbutyryloxy>-trixikingolide-3-acetoxyisovalerate
8beta-acetoxy-1beta,9beta-dibenzoyloxy-6alpha-hydroxy-beta-dihydroagarofuran
(2S,3R,4R)-2-(3,4-dimethoxyphenyl)-4-{[4-(beta-D-glucopyranosyloxy)-3-methoxyphenyl]methyl}tetrahydrofuran-3-methanol|4-(beta-D-glucopyranosyloxy)-9-hydroxy-3,3,4-trimethoxy-7,9-epoxylignan
2alpha-acetyloxy-4beta-hydroxy-6alpha-p-hydroxybenzoyloxy-10beta-benzoyloxy-dauc-8-ene
6alpha-acetoxy-1beta,8beta-dibenzoyloxy-9beta-hydroxy-beta-dihydroagarofuran|6??-Acetoxy-1??,8??-dibenzoyloxy-9??-hydroxy-??-dihydroagarofuran
Gln Asn Phe Glu
SchisanwilsoninH
Schisanwilsonin H is a natural product found in Schisandra rubriflora with data available.
Schisantherin A
A polyphenol metabolite detected in biological fluids [PhenolExplorer] Schisantherin A is a dibenzocyclooctadiene lignan. Schisantherin A inhibits p65-NF-κB translocation into the nucleus by IκBα degradation. Schisantherin A is a dibenzocyclooctadiene lignan. Schisantherin A inhibits p65-NF-κB translocation into the nucleus by IκBα degradation.
C27H36O11_[2-(3,4-Dimethoxyphenyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-yl]methyl hexopyranoside
Ala Phe His Tyr
Ala Phe Asn Trp
Ala Phe Trp Asn
Ala Phe Tyr His
Ala His Phe Tyr
Ala His Tyr Phe
Ala Asn Phe Trp
Ala Asn Trp Phe
Ala Trp Phe Asn
Ala Trp Asn Phe
Ala Tyr Phe His
Ala Tyr His Phe
Cys Cys Arg Arg
Cys Lys Thr Trp
Cys Lys Trp Thr
Cys Met Gln Arg
Cys Met Arg Gln
Cys Gln Met Arg
Cys Gln Arg Met
Cys Gln Thr Trp
Cys Gln Trp Thr
Cys Arg Cys Arg
Cys Arg Met Gln
Cys Arg Gln Met
Cys Arg Arg Cys
Cys Thr Lys Trp
Cys Thr Gln Trp
Cys Thr Trp Lys
Cys Thr Trp Gln
Cys Trp Lys Thr
Cys Trp Gln Thr
Cys Trp Thr Lys
Cys Trp Thr Gln
Asp Glu His His
Asp Phe Gln Gln
Asp His Glu His
Asp His His Glu
Asp Gln Phe Gln
Asp Gln Gln Phe
Glu Asp His His
Glu Glu Pro Tyr
Glu Glu Tyr Pro
Glu Phe Asn Gln
Glu Phe Gln Asn
Glu His Asp His
Glu His His Asp
Glu Asn Phe Gln
Glu Asn Gln Phe
Glu Pro Glu Tyr
Glu Pro Tyr Glu
Glu Gln Phe Asn
Glu Gln Asn Phe
Glu Tyr Glu Pro
Glu Tyr Pro Glu
Phe Ala His Tyr
Phe Ala Asn Trp
Phe Ala Trp Asn
Phe Ala Tyr His
Phe Asp Gln Gln
Phe Glu Asn Gln
Phe Glu Gln Asn
Phe Phe His Ser
Phe Phe Ser His
Phe Gly Gln Trp
Phe Gly Trp Gln
Phe His Ala Tyr
Phe His Phe Ser
Phe His Ser Phe
Phe His Tyr Ala
Phe Asn Ala Trp
Phe Asn Glu Gln
Phe Asn Gln Glu
Phe Asn Trp Ala
Phe Gln Asp Gln
Phe Gln Glu Asn
Phe Gln Gly Trp
Phe Gln Asn Glu
Phe Gln Gln Asp
Phe Gln Trp Gly
Phe Ser Phe His
Phe Ser His Phe
Phe Trp Ala Asn
Phe Trp Gly Gln
Phe Trp Asn Ala
Phe Trp Gln Gly
Phe Tyr Ala His
Phe Tyr His Ala
Gly Phe Gln Trp
Gly Phe Trp Gln
Gly Gln Phe Trp
Gly Gln Trp Phe
Gly Trp Phe Gln
Gly Trp Gln Phe
His Ala Phe Tyr
His Ala Tyr Phe
His Asp Glu His
His Asp His Glu
His Glu Asp His
His Glu His Asp
His Phe Ala Tyr
His Phe Phe Ser
His Phe Ser Phe
His Phe Tyr Ala
His His Asp Glu
His His Glu Asp
His Met Ser Tyr
His Met Tyr Ser
His Ser Phe Phe
His Ser Met Tyr
His Ser Tyr Met
His Tyr Ala Phe
His Tyr Phe Ala
His Tyr Met Ser
His Tyr Ser Met
Lys Cys Thr Trp
Lys Cys Trp Thr
Lys Thr Cys Trp
Lys Thr Trp Cys
Lys Trp Cys Thr
Lys Trp Thr Cys
Met Cys Gln Arg
Met Cys Arg Gln
Met His Ser Tyr
Met His Tyr Ser
Met Met Gln Gln
Met Asn Ser Trp
Met Asn Trp Ser
Met Gln Cys Arg
Met Gln Met Gln
Met Gln Gln Met
Met Gln Arg Cys
Met Arg Cys Gln
Met Arg Gln Cys
Met Ser His Tyr
Met Ser Asn Trp
Met Ser Trp Asn
Met Ser Tyr His
Met Trp Asn Ser
Met Trp Ser Asn
Met Tyr His Ser
Met Tyr Ser His
Asn Ala Phe Trp
Asn Ala Trp Phe
Asn Glu Phe Gln
Asn Glu Gln Phe
Asn Phe Ala Trp
Asn Phe Glu Gln
Asn Phe Gln Glu
Asn Phe Trp Ala
Asn Met Ser Trp
Asn Met Trp Ser
Asn Gln Glu Phe
Asn Gln Phe Glu
Asn Ser Met Trp
Asn Ser Trp Met
Asn Trp Ala Phe
Asn Trp Phe Ala
Asn Trp Met Ser
Asn Trp Ser Met
Pro Glu Glu Tyr
Pro Glu Tyr Glu
Pro Tyr Glu Glu
Gln Cys Met Arg
Gln Cys Arg Met
Gln Cys Thr Trp
Gln Cys Trp Thr
Gln Asp Phe Gln
Gln Asp Gln Phe
Gln Glu Phe Asn
Gln Glu Asn Phe
Gln Phe Asp Gln
Gln Phe Glu Asn
Gln Phe Gly Trp
Gln Phe Asn Glu
Gln Phe Gln Asp
Gln Phe Trp Gly
Gln Gly Phe Trp
Gln Gly Trp Phe
Gln Met Cys Arg
Gln Met Met Gln
Gln Met Gln Met
Gln Met Arg Cys
Gln Asn Glu Phe
Gln Gln Asp Phe
Gln Gln Phe Asp
Gln Gln Met Met
Gln Arg Cys Met
Gln Arg Met Cys
Gln Thr Cys Trp
Gln Thr Trp Cys
Gln Trp Cys Thr
Gln Trp Phe Gly
Gln Trp Gly Phe
Gln Trp Thr Cys
Arg Cys Cys Arg
Arg Cys Met Gln
Arg Cys Gln Met
Arg Cys Arg Cys
Arg Met Cys Gln
Arg Met Gln Cys
Arg Gln Cys Met
Arg Gln Met Cys
Arg Arg Cys Cys
Ser Phe Phe His
Ser Phe His Phe
Ser His Phe Phe
Ser His Met Tyr
Ser His Tyr Met
Ser Met His Tyr
Ser Met Asn Trp
Ser Met Trp Asn
Ser Met Tyr His
Ser Asn Met Trp
Ser Asn Trp Met
Ser Trp Met Asn
Ser Trp Asn Met
Ser Tyr His Met
Ser Tyr Met His
Thr Cys Lys Trp
Thr Cys Gln Trp
Thr Cys Trp Lys
Thr Cys Trp Gln
Thr Lys Cys Trp
Thr Lys Trp Cys
Thr Gln Cys Trp
Thr Gln Trp Cys
Thr Trp Cys Lys
Thr Trp Cys Gln
Thr Trp Lys Cys
Thr Trp Gln Cys
Trp Ala Phe Asn
Trp Ala Asn Phe
Trp Cys Lys Thr
Trp Cys Gln Thr
Trp Cys Thr Lys
Trp Cys Thr Gln
Trp Phe Ala Asn
Trp Phe Gly Gln
Trp Phe Asn Ala
Trp Phe Gln Gly
Trp Gly Phe Gln
Trp Gly Gln Phe
Trp Lys Cys Thr
Trp Lys Thr Cys
Trp Met Asn Ser
Trp Met Ser Asn
Trp Asn Ala Phe
Trp Asn Phe Ala
Trp Asn Met Ser
Trp Asn Ser Met
Trp Gln Cys Thr
Trp Gln Phe Gly
Trp Gln Gly Phe
Trp Gln Thr Cys
Trp Ser Met Asn
Trp Ser Asn Met
Trp Thr Cys Lys
Trp Thr Cys Gln
Trp Thr Lys Cys
Trp Thr Gln Cys
Tyr Ala Phe His
Tyr Ala His Phe
Tyr Glu Glu Pro
Tyr Glu Pro Glu
Tyr Phe Ala His
Tyr Phe His Ala
Tyr His Ala Phe
Tyr His Phe Ala
Tyr His Met Ser
Tyr His Ser Met
Tyr Met His Ser
Tyr Met Ser His
Tyr Pro Glu Glu
Tyr Ser His Met
Tyr Ser Met His
Aldosterone 18-glucuronide
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
CELLULOSE TRIACETATE
ST 21:4;O5;GlcA
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
3-[[2-(4-Hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]methyl]-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
2-[3-[1-[3-[2-(2-Methoxyethoxycarbonylamino)ethylamino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropylamino]-4-methylsulfanylbutanoic acid
D013501 - Surface-Active Agents > D011092 - Polyethylene Glycols D001697 - Biomedical and Dental Materials
Ala-Phe-Trp-Asn
A tetrapeptide composed of L-alanine, L-phenylalanine, L-tryptophan, and L-asparagine joined in sequence by peptide linkages.
(1beta,11beta,12alpha,15beta)-1,11,12-trihydroxy-2,16-dioxo-13,20-epoxypicras-3-en-15-yl (2R)-2-(acetyloxy)-2-methylbutanoate
(1S)-1-[(2,5-difluorophenyl)methyl]-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]carboxamide
N-[[(10S,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methyl-1-phenylmethanesulfonamide
N-[[(10S,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N,2-dimethylbenzenesulfonamide
N-[[(10S,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N,2-dimethylbenzenesulfonamide
N-[[(10S,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N,2-dimethylbenzenesulfonamide
N-[[(10R,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N,2-dimethylbenzenesulfonamide
N-[[(10R,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N,2-dimethylbenzenesulfonamide
N-[[(10R,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N,2-dimethylbenzenesulfonamide
N-[[(10S,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N,3-dimethylbenzenesulfonamide
N-[[(10S,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N,3-dimethylbenzenesulfonamide
N-[[(10S,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N,4-dimethylbenzenesulfonamide
2-[(3R,6aR,8S,10aR)-1-(benzenesulfonyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide
N-[[(10R,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N,2-dimethylbenzenesulfonamide
(1R)-1-[(2,5-difluorophenyl)methyl]-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]carboxamide
N-[[(10S,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N,3-dimethylbenzenesulfonamide
N-[[(10R,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N,3-dimethylbenzenesulfonamide
N-[[(10S,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N,4-dimethylbenzenesulfonamide
N-[[(10R,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N,4-dimethylbenzenesulfonamide
N-[[(10S,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N,4-dimethylbenzenesulfonamide
N-[[(10R,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N,3-dimethylbenzenesulfonamide
N-[[(10R,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N,4-dimethylbenzenesulfonamide
N-[[(10R,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N,3-dimethylbenzenesulfonamide
N-[[(10R,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N,4-dimethylbenzenesulfonamide
N-[[(10R,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N,3-dimethylbenzenesulfonamide
N-[[(10R,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N,4-dimethylbenzenesulfonamide
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(1R,2S,5S,6S,14R,15S,16S)-2-(2-hydroxyacetyl)-14-methyl-11-oxo-17-oxapentacyclo[14.2.1.01,5.06,15.09,14]nonadec-9-en-18-yl]oxy]oxane-2-carboxylic acid
4-[3-[(E)-2-[(2S,3R,4S)-3-ethenyl-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]ethenyl]pyridin-1-ium-1-yl]butanoic acid
C26H34NO11+ (536.2131754000001)
QUASSIMARIN
A quassinoid isolated from Quassia amara and Leitneria floridana and has been shown to exhibit antitumour activity.
SOS1-IN-15
SOS1-IN-15 (Compound 37) is an orally active SOS1 inhibitor with an IC50 of 5 nM. SOS1-IN-15 is a promising agent candidate for the research of KRAS-driven cancer[1].
(1r,2s,5r,6r,13s,14r,16s)-6-(furan-3-yl)-16-(2-methoxy-2-oxoethyl)-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.0²,¹¹.0⁵,¹⁰]heptadeca-9,11-dien-14-yl 2-methylprop-2-enoate
(3ar,4s,9as,9br)-4-{[(3s,3ar,4s,9as,9br)-9-(hydroxymethyl)-3,6-dimethyl-2,7-dioxo-3h,3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-4-yl]oxy}-9-(hydroxymethyl)-6-methyl-3-methylidene-3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-2,7-dione
methyl 8-[2-(furan-3-yl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl]-2,8-dimethyl-10-oxo-11-oxatricyclo[7.2.1.0²,⁷]dodec-3-ene-3-carboxylate
(1r,2r)-2-{4-[(2r,3s,4s,5s)-5-(2h-1,3-benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy}-1-(3,4-dimethoxyphenyl)propan-1-ol
(1s,4r,5r,6r,7s,8r,11r,13s,17s,18s,19r)-4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.0¹,⁷.0⁴,¹⁹.0¹³,¹⁸]nonadec-14-en-8-yl (2s)-2-(acetyloxy)-2-methylbutanoate
(3s,4s)-4-{[(2r,3s)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]methyl}-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
methyl (2s,4as,6ar,9r,10as,10bs)-2-(furan-3-yl)-6a,10b-dimethyl-4-oxo-9-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,4ah,5h,6h,9h,10h,10ah-naphtho[2,1-c]pyran-7-carboxylate
4-[8-(3,7-dimethylocta-2,6-dien-1-yl)-1,3,6-trihydroxy-7-methoxy-9-oxoxanthen-2-yl]-2-methylbut-2-en-1-yl acetate
12-(acetyloxy)-5-(benzoyloxy)-7-hydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-8-yl benzoate
(1s,2s,3r,4r,7s,8e,10e,12s,13s,14s,15r)-12,14-bis(acetyloxy)-3,15-dihydroxy-9-(methoxymethyl)-4,13,17-trimethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-8,10,16-trien-2-yl acetate
(3r,4r)-3-{[(2s,3r)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]methyl}-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
1-(2h-1,3-benzodioxol-5-yl)-2-{4-[5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy}propan-1-ol
methyl (1r,2r,7s,8s,9r)-8-[2-(furan-3-yl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl]-2,8-dimethyl-10-oxo-11-oxatricyclo[7.2.1.0²,⁷]dodec-3-ene-3-carboxylate
12-(acetyloxy)-7-(benzoyloxy)-5-hydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-8-yl benzoate
(1s,5r,6r,7s,8r,11r,13s,17s,18s,19r)-4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.0¹,⁷.0⁴,¹⁹.0¹³,¹⁸]nonadec-14-en-8-yl 2-(acetyloxy)-2-methylbutanoate
methyl (2r)-2-[(1s,2s,5s,6s,10r,11s,12s,13r,14r,15r,17s,18s)-6-(furan-3-yl)-10,11,13,14,17-pentahydroxy-1,5,15-trimethyl-8-oxo-7-oxapentacyclo[13.2.1.0²,¹¹.0⁵,¹⁰.0¹²,¹⁷]octadecan-18-yl]-2-hydroxyacetate
2α-acetoxy-4β-hydroxy-6α-p-hydroxybenzoyl-oxy-10β-benzoyloxy-dauc-8-ene
{"Ingredient_id": "HBIN005267","Ingredient_name": "2\u03b1-acetoxy-4\u03b2-hydroxy-6\u03b1-p-hydroxybenzoyl-oxy-10\u03b2-benzoyloxy-dauc-8-ene","Alias": "NA","Ingredient_formula": "C31H36O8","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "218","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3-pentyl-1,2,4,5-benzenetetrol; 2,4-di-o-beta-d-glucopyranoside
{"Ingredient_id": "HBIN009452","Ingredient_name": "3-pentyl-1,2,4,5-benzenetetrol; 2,4-di-o-beta-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C23H36O14","Ingredient_Smile": "NA","Ingredient_weight": "536.52","OB_score": "NA","CAS_id": "248256-30-6","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8001","PubChem_id": "NA","DrugBank_id": "NA"}
6α-acetoxy-1β,8β-dibenzoyloxy-9β-hydroxy-β-dihydroagarofuran
{"Ingredient_id": "HBIN012192","Ingredient_name": "6\u03b1-acetoxy-1\u03b2,8\u03b2-dibenzoyloxy-9\u03b2-hydroxy-\u03b2-dihydroagarofuran","Alias": "NA","Ingredient_formula": "C31H36O8","Ingredient_Smile": "CC1CCC(C2(C13C(C(C(C2O)OC(=O)C4=CC=CC=C4)C(O3)(C)C)OC(=O)C)C)OC(=O)C5=CC=CC=C5","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "155","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
{3,4,5-trihydroxy-6-[(2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)methoxy]oxan-2-yl}methyl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.0¹,⁷.0⁴,¹⁹.0¹³,¹⁸]nonadec-14-en-8-yl 2-(acetyloxy)-2-methylbutanoate
8-hydroxy-5-[(3-hydroxy-3-methylbutanoyl)oxy]-10-methyl-11-oxo-4,12-dioxapentacyclo[7.7.0.0¹,⁶.0²,¹³.0¹⁰,¹⁵]hexadec-2-en-14-yl 3-(acetyloxy)-2-methylbutanoate
methyl (2r)-2-[(1s,2r,5s,6s,10r,11s,12s,13r,14r,15r,17s,18s)-6-(furan-3-yl)-10,11,13,14,17-pentahydroxy-1,5,15-trimethyl-8-oxo-7-oxapentacyclo[13.2.1.0²,¹¹.0⁵,¹⁰.0¹²,¹⁷]octadecan-18-yl]-2-hydroxyacetate
5-(acetyloxy)-12-(benzoyloxy)-2-(hydroxymethyl)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
methyl (2s,4as,6s,6ar,10as,10bs)-2-(furan-3-yl)-6a,10b-dimethyl-4-oxo-6-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,4ah,5h,6h,9h,10h,10ah-naphtho[2,1-c]pyran-7-carboxylate
(1s,2r,5s,6s,7r,8s,9r,12r)-5-(acetyloxy)-12-(benzoyloxy)-8-hydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
[(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-{[(1r)-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]methoxy}oxan-2-yl]methyl (2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
2-(4-{[5-(3,4-dimethoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methyl}-2-methoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
methyl (4ar,6r,6ar,10as,10bs)-2-(furan-3-yl)-6a,10b-dimethyl-4-oxo-6-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,4ah,5h,6h,9h,10h,10ah-naphtho[2,1-c]pyran-7-carboxylate
10-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2(7),3,5,13,18-hexaen-11-yl benzoate
(1s,3r,3as,4s,8s,8ar)-1-(acetyloxy)-8-(benzoyloxy)-3-hydroxy-3-isopropyl-6,8a-dimethyl-1,2,3a,4,5,8-hexahydroazulen-4-yl 4-hydroxybenzoate
(8s,9s,10s)-9-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2(7),3,5,13,18-hexaen-8-yl benzoate
methyl (2s,4as,6ar,9r,10as,10bs)-2-(furan-3-yl)-6a,10b-dimethyl-4-oxo-9-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,4ah,5h,6h,9h,10h,10ah-naphtho[2,1-c]pyran-7-carboxylate
(1s,2r,5s,6s,7s,8r,9r,12r)-12-(acetyloxy)-7-(benzoyloxy)-5-hydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-8-yl benzoate
(1s,2r,5s,6r,7s,8r,9r,12r)-12-(acetyloxy)-5-(benzoyloxy)-7-hydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-8-yl benzoate
(2e,6e)-6-{3-[5-(2,5-dihydroxyphenyl)-2-oxo-5h-furan-3-yl]propylidene}-5,7-dihydroxy-2-methylhept-2-en-1-yl (2e)-3-(4-hydroxyphenyl)prop-2-enoate
(1s,2r)-2-{4-[(2s,3r,4r,5s)-5-(2h-1,3-benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy}-1-(3,4-dimethoxyphenyl)propan-1-ol
methyl 2-[6-(furan-3-yl)-10,11,13,14,17-pentahydroxy-1,5,15-trimethyl-8-oxo-7-oxapentacyclo[13.2.1.0²,¹¹.0⁵,¹⁰.0¹²,¹⁷]octadecan-18-yl]-2-hydroxyacetate
8-(acetyloxy)-7-(benzoyloxy)-12-hydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-5-yl benzoate
(9s,10s,11r)-10-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2(7),3,5,13,18-hexaen-11-yl benzoate
2-{4-[5-(2h-1,3-benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy}-1-(3,4-dimethoxyphenyl)propan-1-ol
(1s,2r)-1-(2h-1,3-benzodioxol-5-yl)-2-{4-[(2r,3s,4s,5r)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy}propan-1-ol
(1r,2s,3r,6r,8s,12s,13s,14r,15r,16s,17s)-12,15,16-trihydroxy-9,13,17-trimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.0¹,⁶.0²,¹⁷.0⁸,¹³]nonadec-9-en-3-yl (2s)-2-(acetyloxy)-2-methylbutanoate
(1s,2s,5s,6s,7s,9r,12r)-5-(acetyloxy)-12-(benzoyloxy)-2-(hydroxymethyl)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
(1s,2r,5s,6s,7s,8s,9r,12r)-12-(acetyloxy)-5-(benzoyloxy)-8-hydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
4a,8,9'-trimethyl-4'-methylidene-2,5,5',14'-tetraoxo-3a,4,7a,8,9,9a-hexahydro-6'-oxaspiro[azuleno[6,5-b]furan-3,13'-tetracyclo[9.2.2.0¹,¹⁰.0³,⁷]pentadecan]-4-yl acetate
(9r,10s,11s)-10-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2(7),3,5,13,18-hexaen-11-yl benzoate
3-[(2r,3s)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propyl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
(1r,2r)-1-(2h-1,3-benzodioxol-5-yl)-2-{4-[(2s,3r,4s,5r)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy}propan-1-ol
(2r,3r,4r,5r,6s)-2-{[(2s,3r)-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-yl]methoxy}-6-methyloxane-3,4,5-triol
4-{5-[4-(4-hydroxy-3-methoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl}-2-methoxyphenol
4-[(2s,3s)-5-[(1s,3as,4s,6as)-4-(4-hydroxy-3-methoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenol
(9s,10s,11s)-10-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2(7),3,5,13,18-hexaen-11-yl benzoate
(1'r,3s,3'r,3ar,4s,4ar,7'r,7ar,8r,9'r,9ar,10'r,11's)-4a,8,9'-trimethyl-4'-methylidene-2,5,5',14'-tetraoxo-3a,4,7a,8,9,9a-hexahydro-6'-oxaspiro[azuleno[6,5-b]furan-3,13'-tetracyclo[9.2.2.0¹,¹⁰.0³,⁷]pentadecan]-4-yl acetate
5,7,15,16,20-pentahydroxy-17,17-dimethyl-6,8-bis(3-methylbut-2-en-1-yl)-10,12,18-trioxapentacyclo[11.8.0.0²,¹¹.0⁴,⁹.0¹⁴,¹⁹]henicosa-1(13),2(11),4,6,8,14(19),20-heptaen-3-one
(15s,16r)-5,7,15,16,20-pentahydroxy-17,17-dimethyl-6,8-bis(3-methylbut-2-en-1-yl)-10,12,18-trioxapentacyclo[11.8.0.0²,¹¹.0⁴,⁹.0¹⁴,¹⁹]henicosa-1(13),2(11),4,6,8,14(19),20-heptaen-3-one
(1r,2r,4r,5's,8as)-5'-(furan-3-yl)-2-methyl-2'-oxo-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4,6,7,8,8a-hexahydro-2h-spiro[naphthalene-1,3'-oxolan]-5-ylmethyl acetate
(1r,5r,6s,8s,9s,10s,13s,14r,15s)-8-hydroxy-5-[(3-hydroxy-3-methylbutanoyl)oxy]-10-methyl-11-oxo-4,12-dioxapentacyclo[7.7.0.0¹,⁶.0²,¹³.0¹⁰,¹⁵]hexadec-2-en-14-yl (2r,3s)-3-(acetyloxy)-2-methylbutanoate
(1z,4r,5s,14s,16r,19z)-14,16-dihydroxy-5,6,6,21,21-pentamethyl-3,7,18,23-tetraazaoctacyclo[16.13.0.0³,¹⁶.0⁴,⁷.0⁴,¹⁴.0⁸,¹³.0²²,³⁰.0²⁴,²⁹]hentriaconta-1(31),8,10,12,19,22(30),24,26,28-nonaene-2,17-dione
C32H32N4O4 (536.2423431999999)