Exact Mass: 440.09547200000003
Exact Mass Matches: 440.09547200000003
Found 309 metabolites which its exact mass value is equals to given mass value 440.09547200000003,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Ginkgolide C
C20H24O11 (440.13185539999995)
Ginkgolide C is found in fats and oils. Ginkgolide C is a bitter principle from Ginkgo biloba (ginkgo). Bitter principle from Ginkgo biloba (ginkgo). Ginkgolide C is found in ginkgo nuts and fats and oils. Ginkgolide C is a flavone isolated from Ginkgo biloba leaves, possessing multiple biological functions, such as decreasing platelet aggregation and ameliorating Alzheimer disease. Ginkgolide C is a flavone isolated from Ginkgo biloba leaves, possessing multiple biological functions, such as decreasing platelet aggregation and ameliorating Alzheimer disease. Ginkgolide C is a flavone isolated from Ginkgo biloba leaves, possessing multiple biological functions, such as decreasing platelet aggregation and ameliorating Alzheimer disease. Ginkgolide C is a flavone isolated from Ginkgo biloba leaves, possessing multiple biological functions, such as decreasing platelet aggregation and ameliorating Alzheimer disease.
Hallactone B
A diterpenoid that is a organic heterohexacyclic compound consisting of lactone and epoxide ring systems. It is isolated from Podocarpus macrophyllus.
ITOPA
1S,3R-Rsl3
C23H21ClN2O5 (440.11389260000004)
S-[(Z)-N-hydroxy(4-hydroxyphenyl)acetimidoyl]glutathione
Delafloxacin
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01M - Quinolone antibacterials > J01MA - Fluoroquinolones D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic
3,5-Dihydroxyphenyl 1-O-(6-O-galloyl-beta-D-glucopyranoside)
C19H20O12 (440.09547200000003)
3,5-Dihydroxyphenyl 1-O-(6-O-galloyl-beta-D-glucopyranoside) is found in green vegetables. 3,5-Dihydroxyphenyl 1-O-(6-O-galloyl-beta-D-glucopyranoside) is isolated from commercial rhubarb (Rheum species). Isolated from commercial rhubarb (Rheum subspecies). 3,5-Dihydroxyphenyl 1-O-(6-O-galloyl-beta-D-glucopyranoside) is found in green vegetables.
Isolariciresinol sulfate
Delafloxacin
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01M - Quinolone antibacterials > J01MA - Fluoroquinolones D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic
Ginkgolide
C20H24O11 (440.13185539999995)
ginkgolide-C is a natural product found in Ginkgo biloba with data available. See also: Ginkgo (part of). Ginkgolide C is a flavone isolated from Ginkgo biloba leaves, possessing multiple biological functions, such as decreasing platelet aggregation and ameliorating Alzheimer disease. Ginkgolide C is a flavone isolated from Ginkgo biloba leaves, possessing multiple biological functions, such as decreasing platelet aggregation and ameliorating Alzheimer disease. Ginkgolide C is a flavone isolated from Ginkgo biloba leaves, possessing multiple biological functions, such as decreasing platelet aggregation and ameliorating Alzheimer disease. Ginkgolide C is a flavone isolated from Ginkgo biloba leaves, possessing multiple biological functions, such as decreasing platelet aggregation and ameliorating Alzheimer disease.
Tetrahydroswertianolin
C20H24O11 (440.13185539999995)
A xanthone glycoside that is the 1,2,3,4-tetrahydro derivaive of swertianolin (the S,4R-stereoisomer). It is isolated from Swertia japonica and shows hepatoprotective properties.
6a,12b-Dihydro-3,10,11,12-tetrahydroxy-6-(3,4,5-trihydroxyphenyl)-[2]benzopyrano[3,4-c]benzopyran-8(6H)-one
Amurensisin
8,9-Dimethoxy-2-(2-phenyldiazenyl)-3-(2-thienyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carbonitrile
(2R,3S,10S)-7,8,9,13-tetrahydroxy-2-(3,4,5-trihydroxyphenyl)-2,3-trans-3,4-cis-2,3,10-trihydrobenzopyrano<3,4-c>-2-benzopyran-1-one|(2R,3S,10S)-7,8,9,13-tetrahydroxy-2-(3,4,5-trihydroxyphenyl)-2,3-trans-3,4-cis-2,3,10-trihydrobenzopyrano[3,4-c]-2-benzopyran-1-one|(5鈥樎?Hydroxy-2R,3S,4S)-6-(3,4-Dihydroxyphenyl)-6alpha,12b-dihydro-3,10,11,12-tetrahydroxy[2]benzopyrano[3,4-c][1]benzopyran-8(6H)-one
5-O-beta-D-glucopyranosyl-2,3-dihydrooroselol|peucedanoside B
C20H24O11 (440.13185539999995)
3-O-(3,4-dihydroxy-trans-cinnamoyl)-4-O-malonyl-quinic acid
C19H20O12 (440.09547200000003)
4-O-(E)-caffeoyl-5-O-malonylquinic acid|dihydroxy-5-carboxyacetoxy-4-[(E)-3-(3,4-dihydroxyphenyl)acryloyloxy]cyclohexanecarboxylic acid
C19H20O12 (440.09547200000003)
3-O-malonyl-5-O-(E)-caffeoylquinic acid|dihydroxy-3-carboxyacetoxy-5-[(E)-3-(3,4-dihydroxyphenyl)acryloyloxy]cyclohexanecarboxylic acid
C19H20O12 (440.09547200000003)
1-caffeoyl-6-tuliposide A|1-O-caffeoyl-6-O-(4-hydroxy-2-methylenebutyroyl)-beta-D-glucopyranose
C20H24O11 (440.13185539999995)
(6-cis-p-coumaroyl)-3-O-beta-D-glucopyranosyl-2-deoxy-D-ribono-gamma-lactone
C20H24O11 (440.13185539999995)
3,10-diacetoxy-1,2;8,9-diepoxy-2,3,6a,7,9,10,13a,14-octahydro-1H,8H-7a,14a-cyclo-pyrazino[1,2-a;4,5-a]diindole-6,13-dione|O,O-diacetyl-scabrosine|Scabrosin-4,4-diacetat
3-O-(6-O-galloyl)-beta-D-glucopyranosylmaltol
C19H20O12 (440.09547200000003)
CA 4P
Fosbretabulin Disodium is the disodium salt of a water-soluble phosphate derivative of a natural stilbenoid phenol derived from the African bush willow (Combretum caffrum) with potential vascular disrupting and antineoplastic activities. Upon administration, the prodrug fosbretabulin is dephosphorylated to its active metabolite, the microtubule-depolymerizing agent combretastatin A4, which binds to tubulin dimers and prevents microtubule polymerization, resulting in mitotic arrest and apoptosis in endothelial cells. In addition, this agent disrupts the engagement of the endothelial cell-specific junctional molecule vascular endothelial-cadherin (VE-cadherin) and so the activity of the VE-cadherin/beta-catenin/Akt signaling pathway, which may result in the inhibition of endothelial cell migration and capillary tube formation. As a result of fosbretabulins dual mechanism of action, the tumor vasculature collapses, resulting in reduced tumor blood flow and ischemic necrosis of tumor tissue. Fosbretabulin disodium (CA 4DP) is a tubulin destabilizing agent. Fosbretabulin disodium is the Combretastatin A4 proagent that selectively targets endothelial cells, induces regression of nascent tumour neovessels, reduces tumour blood flow and causes central tumour necrosis[1][3].
(1S,3R,6R,7S,8S,9R,10S,13S,16S,17R)-8-tert-butyl-6,9,12,17-tetrahydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0¹,¹¹.0³,⁷.0⁷,¹¹.0¹³,¹⁷]nonadecane-5,15,18-trione
C20H24O11 (440.13185539999995)
Ginkgolide C
C20H24O11 (440.13185539999995)
Annotation level-1 Ginkgolide C is a flavone isolated from Ginkgo biloba leaves, possessing multiple biological functions, such as decreasing platelet aggregation and ameliorating Alzheimer disease. Ginkgolide C is a flavone isolated from Ginkgo biloba leaves, possessing multiple biological functions, such as decreasing platelet aggregation and ameliorating Alzheimer disease. Ginkgolide C is a flavone isolated from Ginkgo biloba leaves, possessing multiple biological functions, such as decreasing platelet aggregation and ameliorating Alzheimer disease. Ginkgolide C is a flavone isolated from Ginkgo biloba leaves, possessing multiple biological functions, such as decreasing platelet aggregation and ameliorating Alzheimer disease.
(1S,3R,6R,7S,8S,9R,10S,13S,16S,17R)-8-tert-butyl-6,9,12,17-tetrahydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0¹,¹¹.0³,⁷.0⁷,¹¹.0¹³,¹⁷]nonadecane-5,15,18-trione_major
C20H24O11 (440.13185539999995)
(1S,3R,6R,7S,8S,9R,10S,13S,16S,17R)-8-tert-butyl-6,9,12,17-tetrahydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0¹,¹¹.0³,?.0?,¹¹.0¹³,¹?]nonadecane-5,15,18-trione
C20H24O11 (440.13185539999995)
Cys Cys Cys Ile
C15H28N4O5S3 (440.12217580000004)
Cys Cys Cys Leu
C15H28N4O5S3 (440.12217580000004)
Cys Cys Asp Thr
C14H24N4O8S2 (440.10355039999996)
Cys Cys Glu Ser
C14H24N4O8S2 (440.10355039999996)
Cys Cys Ile Cys
C15H28N4O5S3 (440.12217580000004)
Cys Cys Leu Cys
C15H28N4O5S3 (440.12217580000004)
Cys Cys Ser Glu
C14H24N4O8S2 (440.10355039999996)
Cys Cys Thr Asp
C14H24N4O8S2 (440.10355039999996)
Cys Asp Cys Thr
C14H24N4O8S2 (440.10355039999996)
Cys Asp Phe Gly
Cys Asp Gly Phe
Cys Asp Thr Cys
C14H24N4O8S2 (440.10355039999996)
Cys Glu Cys Ser
C14H24N4O8S2 (440.10355039999996)
Cys Glu Ser Cys
C14H24N4O8S2 (440.10355039999996)
Cys Phe Asp Gly
Cys Phe Gly Asp
Cys Gly Asp Phe
Cys Gly Phe Asp
Cys Gly Met Met
C15H28N4O5S3 (440.12217580000004)
Cys Ile Cys Cys
C15H28N4O5S3 (440.12217580000004)
Cys Leu Cys Cys
C15H28N4O5S3 (440.12217580000004)
Cys Met Gly Met
C15H28N4O5S3 (440.12217580000004)
Cys Met Met Gly
C15H28N4O5S3 (440.12217580000004)
Cys Met Ser Thr
Cys Met Thr Ser
Cys Ser Cys Glu
C14H24N4O8S2 (440.10355039999996)
Cys Ser Glu Cys
C14H24N4O8S2 (440.10355039999996)
Cys Ser Met Thr
Cys Ser Thr Met
Cys Thr Cys Asp
C14H24N4O8S2 (440.10355039999996)
Cys Thr Asp Cys
C14H24N4O8S2 (440.10355039999996)
Cys Thr Met Ser
Cys Thr Ser Met
Asp Cys Cys Thr
C14H24N4O8S2 (440.10355039999996)
Asp Cys Phe Gly
Asp Cys Gly Phe
Asp Cys Thr Cys
C14H24N4O8S2 (440.10355039999996)
Asp Phe Cys Gly
Asp Phe Gly Cys
Asp Gly Cys Phe
Asp Gly Phe Cys
Asp Thr Cys Cys
C14H24N4O8S2 (440.10355039999996)
Glu Cys Cys Ser
C14H24N4O8S2 (440.10355039999996)
Glu Cys Ser Cys
C14H24N4O8S2 (440.10355039999996)
Glu Ser Cys Cys
C14H24N4O8S2 (440.10355039999996)
Phe Cys Asp Gly
Phe Cys Gly Asp
Phe Asp Cys Gly
Phe Asp Gly Cys
Phe Gly Cys Asp
Phe Gly Asp Cys
Gly Cys Asp Phe
Gly Cys Phe Asp
Gly Cys Met Met
C15H28N4O5S3 (440.12217580000004)
Gly Asp Cys Phe
Gly Asp Phe Cys
Gly Phe Cys Asp
Gly Phe Asp Cys
Gly Met Cys Met
C15H28N4O5S3 (440.12217580000004)
Gly Met Met Cys
C15H28N4O5S3 (440.12217580000004)
Ile Cys Cys Cys
C15H28N4O5S3 (440.12217580000004)
Leu Cys Cys Cys
C15H28N4O5S3 (440.12217580000004)
Met Cys Gly Met
C15H28N4O5S3 (440.12217580000004)
Met Cys Met Gly
C15H28N4O5S3 (440.12217580000004)
Met Cys Ser Thr
Met Cys Thr Ser
Met Gly Cys Met
C15H28N4O5S3 (440.12217580000004)
Met Gly Met Cys
C15H28N4O5S3 (440.12217580000004)
Met Met Cys Gly
C15H28N4O5S3 (440.12217580000004)
Met Met Gly Cys
C15H28N4O5S3 (440.12217580000004)
Met Ser Cys Thr
Met Ser Thr Cys
Met Thr Cys Ser
Met Thr Ser Cys
Ser Cys Cys Glu
C14H24N4O8S2 (440.10355039999996)
Ser Cys Glu Cys
C14H24N4O8S2 (440.10355039999996)
Ser Cys Met Thr
Ser Cys Thr Met
Ser Glu Cys Cys
C14H24N4O8S2 (440.10355039999996)
Ser Met Cys Thr
Ser Met Thr Cys
Ser Thr Cys Met
Ser Thr Met Cys
Thr Cys Cys Asp
C14H24N4O8S2 (440.10355039999996)
Thr Cys Asp Cys
C14H24N4O8S2 (440.10355039999996)
Thr Cys Met Ser
Thr Cys Ser Met
Thr Asp Cys Cys
C14H24N4O8S2 (440.10355039999996)
Thr Met Cys Ser
Thr Met Ser Cys
Thr Ser Cys Met
Thr Ser Met Cys
His-Tyr-OH
3,5-Dihydroxyphenyl 1-O-(6-O-galloyl-b-D-glucopyranoside)
C19H20O12 (440.09547200000003)
b-D-Glucopyranoside, phenyl1-thio-, 2,3,4,6-tetraacetate
(4R)-5-(8-azaspiro[4.5]decan-8-yl)-4-[(3,5-dichlorobenzoyl)amino]-5-oxopentanoic acid
C21H26Cl2N2O4 (440.12695360000004)
Phenyl 2,3,4,6-Tetra-O-acetyl-1-thio-a-D-mannopyranoside
sodium 2-hydroxy-3-[3-[1,3,3,3-tetramethyl-1-[(trimethylsilyl)oxy]disiloxanyl]propoxy]propane-1-sulphonate
C13H33NaO7SSi3 (440.11524280000003)
phenyl 2,3,4,6-tetra-o-acetyl-1-thio-beta-d-galactopyranoside
1-[(4-chlorophenyl)-phenylmethyl]-4-(4-methylphenyl)sulfonylpiperazine
(3β)-17-Iodoandrosta-5,16-dien-3-yl acetate
C21H29IO2 (440.12122039999997)
Benzonitrile, 4-[4-[[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl]-1-piperazinyl]-
C22H18Cl2N4O2 (440.08067479999994)
4-Thiazolidinecarboxylic acid, 3-[[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]acetyl]-2,2-dimethyl-, (4R)-
Ravoxertinib
C21H18ClFN6O2 (440.11637299999995)
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C174048 - ERK Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors D000970 - Antineoplastic Agents Ravoxertinib (GDC-0994) is an orally active ERK kinase inhibitor with an IC50 of 6.1 nM and 3.1 nM for ERK1 and ERK2, respectively.
3-(N-Morpholino)propanesulfonic acid hemisodium salt
Bis(indenyl)dimethylhafnium(IV)
(C9H7)2Hf(CH3)2 (440.10305300000005)
GSK 2018682
C22H21ClN4O4 (440.12512560000005)
(S)-2-[(4-nitro-phenoxy)-phenoxy-phosphorylamino]propionic acid isopropyl ester
N-(5-METHYLISOXAZOL-3-YL)-4-(3-(3-(TRIFLUOROMETHYL)PHENYL)UREIDO)BENZENESULFONAMIDE
C18H15F3N4O4S (440.07660660000005)
(r)-(2-Chloro-3-(trifluoromethyl)phenyl)(1-(5-fluoropyrimidin-2-yl)-4-methyl-1,4,6,7-tetrahydro-5h-[1,2,3]triazolo[4,5-c]pyridin-5-yl)methanone
1-(2,4-dichlorophenyl)-6-methyl-N-(1-piperidinyl)-4H-indeno[1,2-c]pyrazole-3-carboxamide
2-Benzofurancarboxylic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester
C25H16N2O4S (440.08307360000003)
2-oxo-N-[2-[(2-phenyl-1H-indol-3-yl)thio]ethyl]-1-benzopyran-3-carboxamide
2-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]-N-(2-furanylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
3-{2,6,8-Trioxo-9-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-1,2,3,6,8,9-hexahydro-7H-purin-7-YL}propyl dihydrogen phosphate
C13H21N4O11P (440.09444060000004)
(2R,3R,4S,5R)-2-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
C17H18Cl2N6O4 (440.07665280000003)
N2-({[(4-Bromophenyl)methyl]oxy}carbonyl)-N1-[(1S)-1-formylpentyl]-L-leucinamide
C20H29BrN2O4 (440.13105740000003)
3-{2,6,8-Trioxo-9-[(2R,3S,4R)-2,3,4,5-tetrahydroxypentyl]-1,2,3,6,8,9-hexahydro-7H-purin-7-YL}propyl dihydrogen phosphate
C13H21N4O11P (440.09444060000004)
3-{2,6,8-Trioxo-9-[(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl]-1,2,3,6,8,9-hexahydro-7H-purin-7-YL}propyl dihydrogen phosphate
C13H21N4O11P (440.09444060000004)
3-{2,6,8-Trioxo-9-[(2R,3R,4R)-2,3,4,5-tetrahydroxypentyl]-1,2,3,6,8,9-hexahydro-7H-purin-7-YL}propyl dihydrogen phosphate
C13H21N4O11P (440.09444060000004)
Fosbretabulin disodium
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C273 - Antimitotic Agent D000970 - Antineoplastic Agents Fosbretabulin disodium (CA 4DP) is a tubulin destabilizing agent. Fosbretabulin disodium is the Combretastatin A4 proagent that selectively targets endothelial cells, induces regression of nascent tumour neovessels, reduces tumour blood flow and causes central tumour necrosis[1][3].
(2S)-2-amino-5-[[(1R)-1-carboxy-2-[(1,2,6-trimethyl-3,5-dioxopyrazolo[1,2-a]pyrazol-7-yl)methylsulfanyl]ethyl]amino]-5-oxopentanoic acid
3-(2-chlorophenyl)-6-(3-cyclopentyloxy-4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
C22H21ClN4O2S (440.10736760000003)
3-[4-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]benzoic acid
C22H20N2O4S2 (440.08644400000003)
6-[[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)anilino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid
2,6-difluoro-N-[2-[3-[(2-fluorophenyl)methylthio]-1-indolyl]ethyl]benzamide
C24H19F3N2OS (440.11701200000005)
4,5-Dimethoxy-2-[[1-oxo-2-[(3,5,8-trimethyl-2-quinolinyl)thio]ethyl]amino]benzoic acid
2-(3,5-Dinitrophenyl)-3-(2-phenylethyl)imidazo[4,5-b]quinoxaline
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-(2-methoxyphenyl)acetamide
2-[[4-(2,5-dimethylphenyl)-5-(2-methyl-3-furanyl)-1,2,4-triazol-3-yl]thio]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
(1S,5R)-3-[(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
C23H21ClN2O5 (440.11389260000004)
(1R,9S,10S,11S)-5-(3-fluorophenyl)-10-(hydroxymethyl)-12-methyl-6-oxo-N-(1,3-thiazol-2-yl)-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
(1S,9R,10R,11R)-5-(3-fluorophenyl)-10-(hydroxymethyl)-12-methyl-6-oxo-N-(1,3-thiazol-2-yl)-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
3-chloro-N-[(2S,3R,6S)-6-[2-(ethylsulfonylamino)ethyl]-2-(hydroxymethyl)-3-oxanyl]benzenesulfonamide
3-chloro-N-[(2R,3R,6S)-6-[2-(ethylsulfonylamino)ethyl]-2-(hydroxymethyl)-3-oxanyl]benzenesulfonamide
3-chloro-N-[(2R,3S,6R)-6-[2-(ethylsulfonylamino)ethyl]-2-(hydroxymethyl)-3-oxanyl]benzenesulfonamide
3-chloro-N-[(2S,3S,6R)-6-[2-(ethylsulfonylamino)ethyl]-2-(hydroxymethyl)-3-oxanyl]benzenesulfonamide
3-chloro-N-[(2R,3S,6S)-6-[2-(ethylsulfonylamino)ethyl]-2-(hydroxymethyl)-3-oxanyl]benzenesulfonamide
[8-(2-hydroxy-1-sulooxypropan-2-yl)-2-oxo-8,9-dihydrouro[2,3-h]chromen-9-yl] (E)-2-methylbut-2-enoate
(2-hydroxy-2-{9-[(3-methylbut-2-enoyl)oxy]-2-oxo-2H,8H,9H-furo[2,3-h]chromen-8-yl}propoxy)sulfonic acid
(2-{9-hydroxy-2-oxo-2H,8H,9H-furo[2,3-h]chromen-8-yl}-2-[(3-methylbut-2-enoyl)oxy]propoxy)sulfonic acid
(1R,3R,8S,9R,10S,13S,16S,17R)-8-Tert-butyl-6,9,12,17-tetrahydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione
C20H24O11 (440.13185539999995)
2-amino-5-[[3-[(Z)-C-benzyl-N-hydroxycarbonimidoyl]sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
(1S,3R,6R,7S,8S,9R,10S,11R,12S,13S,16S,17R)-8-tert-butyl-6,9,12,17-tetrahydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione
C20H24O11 (440.13185539999995)
(1S,3R,6R,7S,8S,9R,10S,13S,16S,17R)-8-tert-butyl-6,9,12,17-tetrahydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0(1),(1)(1).0(3),.0,(1)(1).0(1)(3),(1)]nonadecane-5,15,18-trione
C20H24O11 (440.13185539999995)
(1R,6R,7S,8S,9S,10S,11R,12R,13S,16S,17R)-8-tert-butyl-6,9,12,17-tetrahydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione
C20H24O11 (440.13185539999995)
(1S,3R,6R,7S,8S,9R,10S,11R,13S,16S,17R)-8-tert-butyl-6,9,12,17-tetrahydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione
C20H24O11 (440.13185539999995)
(1R,6R,7R,8S,9S,10S,11R,12R,13S,16S,17R)-8-tert-butyl-6,9,12,17-tetrahydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione
C20H24O11 (440.13185539999995)
3,5-Dihydroxyphenyl 1-O-(6-O-galloyl-beta-D-glucopyranoside)
C19H20O12 (440.09547200000003)
(1R,3S)-2-(2-chloro-1-oxoethyl)-1-(4-methoxycarbonylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid methyl ester
C23H21ClN2O5 (440.11389260000004)
(E/Z)-ZINC09659342
(E/Z)-ZINC09659342 is an inhibitor of Lbc-RhoA interaction[1].
AZD4747
C24H22ClFN2O3 (440.13029040000004)
AZD4747 is a selective, blood-brain barrier-permeable mutant GTPase KRASG12C inhibitor. AZD4747 has the potential to study cancer[1].
PF-06372865
PF-06372865 is an orally active, α2/α3/α5 subtype-selective GABAA positive allosteric modulator (PAM). PF-06372865 is a high affinity ligand at GABAA receptors containing α1/α2/α3/α5 subunits (Kis of 2.9 nM, 21 nM, 134 nM for α2, α1 PAM, α2 PAM, respectively), with low affinity for α4/α6 subunits. PF-06372865 can across the blood-brain barrier (BBB). PF-06372865 has anxiolytic activity and has the potential for epilepsy[1].
(1r,3r,9r,10s,13s,16s,17r)-8-tert-butyl-6,9,12,17-tetrahydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0¹,¹¹.0³,⁷.0⁷,¹¹.0¹³,¹⁷]nonadecane-5,15,18-trione
C20H24O11 (440.13185539999995)
4,17,19-trihydroxy-4-(methoxycarbonyl)-11-methyl-2,13-dioxo-12-oxa-6-thiatricyclo[13.4.0.0³,⁷]nonadeca-1(19),15,17-trien-6-ium-6-olate
(11s)-4,17,19-trihydroxy-4-(methoxycarbonyl)-11-methyl-2,13-dioxo-12-oxa-6-thiatricyclo[13.4.0.0³,⁷]nonadeca-1(19),15,17-trien-6-ium-6-olate
amurenisin
{"Ingredient_id": "HBIN015915","Ingredient_name": "amurenisin","Alias": "NA","Ingredient_formula": "C22H16O10","Ingredient_Smile": "C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C4C(=C3)C5=C(C(=C(C=C5C(=O)O4)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1090","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(1s,2r,4s,5r,10s,11r,13s,15s,18r)-5-[(2s)-2-hydroxy-1-methanesulfonylpropan-2-yl]-10,15-dimethyl-3,6,12,17-tetraoxahexacyclo[8.7.1.0²,⁴.0⁴,⁹.0¹¹,¹³.0¹⁵,¹⁸]octadec-8-ene-7,16-dione
(1s,3r,4r,5r)-4-[(2-carboxyacetyl)oxy]-3-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,5-dihydroxycyclohexane-1-carboxylic acid
C19H20O12 (440.09547200000003)
(1s,2r,4s,5r,10s,11s,13r,14r,15r,18r)-14-hydroxy-5-[(2r)-2-hydroxy-1-methanesulfinylpropan-2-yl]-10,15-dimethyl-3,6,12,17-tetraoxahexacyclo[8.7.1.0²,⁴.0⁴,⁹.0¹¹,¹³.0¹⁵,¹⁸]octadec-8-ene-7,16-dione
(1s,3r,4r,5r)-3-[(2-carboxyacetyl)oxy]-5-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4-dihydroxycyclohexane-1-carboxylic acid
C19H20O12 (440.09547200000003)
(1s,2r,4s,5r,10s,11s,13r,14r,15r,18r)-14-hydroxy-5-[(2r)-2-hydroxy-1-[(s)-methanesulfinyl]propan-2-yl]-10,15-dimethyl-3,6,12,17-tetraoxahexacyclo[8.7.1.0²,⁴.0⁴,⁹.0¹¹,¹³.0¹⁵,¹⁸]octadec-8-ene-7,16-dione
methyl 6-chloro-5,7-dihydroxy-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-4-carboxylate
C17H25ClO11 (440.10853299999997)
5,24-dimethoxy-7,9,12,17,20,22-hexaoxaheptacyclo[13.11.0.0²,¹⁴.0³,¹¹.0⁶,¹⁰.0¹⁸,²⁶.0¹⁹,²³]hexacosa-3(11),4,6(10),18(26),19(23),24-hexaene-13,16-dione
2-[(2s)-3-chloro-2-hydroxypent-4-en-2-yl]-11-hydroxy-5-(hydroxymethyl)-1-oxatetraphene-4,7,12-trione
4,8,9,10-tetrahydroxy-2-(3,5,7-trihydroxy-3,4-dihydro-2h-1-benzopyran-2-yl)benzo[c]chromen-6-one
(1s,4s,8r,10s,11r,14s)-11-acetyl-5-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-7,9,13-trioxatetracyclo[6.5.1.0¹,¹⁰.0⁴,¹⁴]tetradeca-2,5-dien-12-one
C20H24O11 (440.13185539999995)
(1s,3r,4r,5r)-3-[(2-carboxyacetyl)oxy]-5-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4-dihydroxycyclohexane-1-carboxylic acid
C19H20O12 (440.09547200000003)
9-hydroxy-8-(2-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-8h,9h-furo[2,3-h]chromen-2-one
C20H24O11 (440.13185539999995)
(1s,2r,3s,4r)-5-cyano-1,2,3,7-tetrahydroxy-3-methyl-6,11-dioxo-1h,2h,4h-benzo[b]carbazol-4-yl 2-methylpropanoate
(5-hydroxy-2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl 1-hydroxy-6-oxocyclohex-2-ene-1-carboxylate
C20H24O11 (440.13185539999995)
(1s,4s,8r,10r,11r,14s)-11-acetyl-5-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-7,9,13-trioxatetracyclo[6.5.1.0¹,¹⁰.0⁴,¹⁴]tetradeca-2,5-dien-12-one
C20H24O11 (440.13185539999995)
3-[(2s,3r)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propoxysulfonic acid
[(2r,3s,4r,5r,6r)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(3,4,5-trimethoxyphenyl)methoxy]oxan-3-yl]oxidanesulfonic acid
(5-hydroxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl 1-hydroxy-6-oxocyclohex-2-ene-1-carboxylate
C20H24O11 (440.13185539999995)
(1s,2r,4s,5r,10s,11s,13r,14s,15r,18r)-14-hydroxy-5-[(2r)-2-hydroxy-1-[(s)-methanesulfinyl]propan-2-yl]-10,15-dimethyl-3,6,12,17-tetraoxahexacyclo[8.7.1.0²,⁴.0⁴,⁹.0¹¹,¹³.0¹⁵,¹⁸]octadec-8-ene-7,16-dione
(1r,4s,5s,8s,9s,11r,14s,15s,17s,19r)-5,8,15-trihydroxy-11-(methylsulfanyl)-21-thia-3,13-diazahexacyclo[15.3.1.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]henicosane-2,12,18-trione
(1s,3r,4r,5r)-3-[(2-carboxyacetyl)oxy]-4-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,5-dihydroxycyclohexane-1-carboxylic acid
C19H20O12 (440.09547200000003)
(8s,9r)-9-hydroxy-8-[(2r)-2-hydroxy-1-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl]-8h,9h-furo[2,3-h]chromen-2-one
C20H24O11 (440.13185539999995)
[(1s,2r,3r)-7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxysulfonic acid
4-[(2-carboxyacetyl)oxy]-3-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,5-dihydroxycyclohexane-1-carboxylic acid
C19H20O12 (440.09547200000003)
(1r,3r,6s,7s,8s,9r,10s,11r,12r,13s,16s,17s)-8-tert-butyl-6,9,12,17-tetrahydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0¹,¹¹.0³,⁷.0⁷,¹¹.0¹³,¹⁷]nonadecane-5,15,18-trione
C20H24O11 (440.13185539999995)
4-(acetyloxy)-5-(3,4-dihydroxyphenyl)-6,11,12-trihydroxy-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaen-3-yl acetate
14-hydroxy-5-(2-hydroxy-1-methanesulfinylpropan-2-yl)-10,15-dimethyl-3,6,12,17-tetraoxahexacyclo[8.7.1.0²,⁴.0⁴,⁹.0¹¹,¹³.0¹⁵,¹⁸]octadec-8-ene-7,16-dione
(1r,3s,6s,7s,8r,9s,10r,11r,12r,13r,16r,17r)-8-tert-butyl-6,9,12,17-tetrahydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0¹,¹¹.0³,⁷.0⁷,¹¹.0¹³,¹⁷]nonadecane-5,15,18-trione
C20H24O11 (440.13185539999995)
5-(2-hydroxy-1-methanesulfonylpropan-2-yl)-10,15-dimethyl-3,6,13,17-tetraoxahexacyclo[8.7.1.0²,⁴.0⁴,⁹.0¹²,¹⁴.0¹⁵,¹⁸]octadec-8-ene-7,16-dione
(1r,3r,6r,7s,8s,9r,10s,11r,12s,13s,16s,17r)-8-tert-butyl-6,9,12,17-tetrahydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0¹,¹¹.0³,⁷.0⁷,¹¹.0¹³,¹⁷]nonadecane-5,15,18-trione
C20H24O11 (440.13185539999995)
(1r,2r,4s,5r,10s,12s,14r,15r,18r)-5-[(2r)-2-hydroxy-1-methanesulfonylpropan-2-yl]-10,15-dimethyl-3,6,13,17-tetraoxahexacyclo[8.7.1.0²,⁴.0⁴,⁹.0¹²,¹⁴.0¹⁵,¹⁸]octadec-8-ene-7,16-dione
(5-hydroxy-2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl (1r)-1-hydroxy-6-oxocyclohex-2-ene-1-carboxylate
C20H24O11 (440.13185539999995)
5-(2-hydroxy-1-methanesulfonylpropan-2-yl)-10,15-dimethyl-3,6,12,17-tetraoxahexacyclo[8.7.1.0²,⁴.0⁴,⁹.0¹¹,¹³.0¹⁵,¹⁸]octadec-8-ene-7,16-dione
(1r,2s,3r,4s)-2,3,4,9-tetrahydroxy-2-methyl-5,10-dioxo-11-(λ⁵-diazynylidene)-1h,3h,4h-benzo[b]fluoren-1-yl 2-methylpropanoate
5-cyano-1,2,3,7-tetrahydroxy-3-methyl-6,11-dioxo-1h,2h,4h-benzo[b]carbazol-4-yl 2-methylpropanoate
(1s,3r,4r,5r)-3-[(2-carboxyacetyl)oxy]-4-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,5-dihydroxycyclohexane-1-carboxylic acid
C19H20O12 (440.09547200000003)
5,6,15,18-tetrahydroxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]docos-16-ene-2,8,12-trione
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 11-ethyl-12-oxo-7,9,13-trioxatetracyclo[6.5.1.0¹,¹⁰.0⁴,¹⁴]tetradeca-2,5-diene-5-carboxylate
C20H24O11 (440.13185539999995)
2-[(2s,3s)-3-chloro-2-hydroxypent-4-en-2-yl]-11-hydroxy-5-(hydroxymethyl)-1-oxatetraphene-4,7,12-trione
2,3,4,9-tetrahydroxy-2-methyl-5,10-dioxo-11-(λ⁵-diazynylidene)-1h,3h,4h-benzo[b]fluoren-1-yl 2-methylpropanoate
(1r,3r,6r,7s,8s,9r,10s,11r,12r,13r,16s,17r)-8-tert-butyl-6,9,12,17-tetrahydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0¹,¹¹.0³,⁷.0⁷,¹¹.0¹³,¹⁷]nonadecane-5,15,18-trione
C20H24O11 (440.13185539999995)
[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[(2-methyl-4-oxopyran-3-yl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
C19H20O12 (440.09547200000003)
[4,5-dihydroxy-2-(hydroxymethyl)-6-[(3,4,5-trimethoxyphenyl)methoxy]oxan-3-yl]oxidanesulfonic acid
{3,4,5-trihydroxy-6-[(2-methyl-4-oxopyran-3-yl)oxy]oxan-2-yl}methyl 3,4,5-trihydroxybenzoate
C19H20O12 (440.09547200000003)
5,8,15-trihydroxy-11-(methylsulfanyl)-21-thia-3,13-diazahexacyclo[15.3.1.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]henicosane-2,12,18-trione
(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (1s,4s,8r,10s,11s,14s)-11-ethyl-12-oxo-7,9,13-trioxatetracyclo[6.5.1.0¹,¹⁰.0⁴,¹⁴]tetradeca-2,5-diene-5-carboxylate
C20H24O11 (440.13185539999995)
(1r,4s,5r,6s,9r,11r,14s,15s,18s,19s)-5,6,15,18-tetrahydroxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]docos-16-ene-2,8,12-trione
16-hydroxy-2-methoxy-10-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8,10,15-pentaen-12-one
3-[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propoxysulfonic acid
(1s,2r,14r,15r)-5,24-dimethoxy-7,9,12,17,20,22-hexaoxaheptacyclo[13.11.0.0²,¹⁴.0³,¹¹.0⁶,¹⁰.0¹⁸,²⁶.0¹⁹,²³]hexacosa-3,5,10,18(26),19(23),24-hexaene-13,16-dione
(3-hydroxy-2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl (1r)-1-hydroxy-6-oxocyclohex-2-ene-1-carboxylate
C20H24O11 (440.13185539999995)
11-acetyl-5-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-7,9,13-trioxatetracyclo[6.5.1.0¹,¹⁰.0⁴,¹⁴]tetradeca-2,5-dien-12-one
C20H24O11 (440.13185539999995)
2-(3-chloro-2-hydroxypent-4-en-2-yl)-11-hydroxy-5-(hydroxymethyl)-1-oxatetraphene-4,7,12-trione
methyl (1s,4as,5s,6r,7r,7as)-6-chloro-5,7-dihydroxy-7-methyl-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-4-carboxylate
C17H25ClO11 (440.10853299999997)
3-[3-(acetyloxy)prop-1-en-1-yl]-7-methyl-6,8-dioxoisochromen-7-yl 2,4-dihydroxy-6-methylbenzoate
2-(3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)furo[2,3-h]chromen-4-one
(5r,8s)-1,5-dihydroxy-3-methoxy-8-{[(2r,3s,4s,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6,7,8-tetrahydroxanthen-9-one
C20H24O11 (440.13185539999995)
(7s)-3-[(1e)-3-(acetyloxy)prop-1-en-1-yl]-7-methyl-6,8-dioxoisochromen-7-yl 2,4-dihydroxy-6-methylbenzoate
1,5-dihydroxy-3-methoxy-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6,7,8-tetrahydroxanthen-9-one
C20H24O11 (440.13185539999995)
2-(3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)furo[2,3-h]chromen-4-one
(3-hydroxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl 1-hydroxy-6-oxocyclohex-2-ene-1-carboxylate
C20H24O11 (440.13185539999995)
(3-hydroxy-2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl 1-hydroxy-6-oxocyclohex-2-ene-1-carboxylate
C20H24O11 (440.13185539999995)