Exact Mass: 560.2159
Exact Mass Matches: 560.2159
Found 500 metabolites which its exact mass value is equals to given mass value 560.2159
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Chloramphenicol palmitate
C254 - Anti-Infective Agent > C258 - Antibiotic Same as: D01072
Isomorellic acid
Morellic acid is found in fruits. Morellic acid is from Garcinia morella (batuan Isomorellic acid is a member of pyranoxanthones. Morellic acid is isolated from Garcinia Morella with an antiangiogenic activity[1]. Morellic acid is isolated from Garcinia Morella with an antiangiogenic activity[1].
5'-(4-Hydroxy-(E)-cinnamoyl) alpha-L-arabinofuranosyl-(1->3)-beta-D-xylopyranosyl-(1->4)-D-xylopyranoside
5-(4-Hydroxy-(E)-cinnamoyl) alpha-L-arabinofuranosyl-(1->3)-beta-D-xylopyranosyl-(1->4)-D-xylopyranoside is found in green vegetables. 5-(4-Hydroxy-(E)-cinnamoyl) alpha-L-arabinofuranosyl-(1->3)-beta-D-xylopyranosyl-(1->4)-D-xylopyranoside is an enzyme hydrolysis product of bamboo shoot (Phyllostachys edulis) cell wall and of barley straw cell walls. Enzym. hydrol. product of bamboo shoot (Phyllostachys edulis) cell wall and of barley straw cell walls. 5-(4-Hydroxy-(E)-cinnamoyl) alpha-L-arabinofuranosyl-(1->3)-beta-D-xylopyranosyl-(1->4)-D-xylopyranoside is found in green vegetables.
Quizartinib
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor
Sotorasib
D000970 - Antineoplastic Agents > D000074322 - Antineoplastic Agents, Immunological > D000082082 - Immune Checkpoint Inhibitors C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1902 - Ras Inhibitor L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor Sotorasib (AMG-510) is a first-in-class, orally bioavailable, and selective KRAS G12C covalent inhibitor. Sotorasib irreversibly inhibits KRAS G12C by locking it in an inactive GDP-bound state. Sotorasib is the first KRAS G12C inhibitor in clinical development and leads to the regression of KRAS G12C tumors[1][2]. Sotorasib racemate (Compound A) is an orally active racemate of Sotorasib (HY-114277), a covalent inhibitor of KRAS G12C mutant which induces adaptive feedback activation of MAPK pathway. Sotorasib racemate also exerts inhibitor activity against KRAS G12C induced cancer and can be applied to cancer research[1].
morellic acid
A dioxo monocarboxylic acid derived from morellin by oxidation of the aldehyde group to the corresponding carboxy group. Isolated from Garcinia morella and Garcinia hanburyi, it exhibits antineoplastic, antibacterial and anti-HIV activity. Morellic acid is isolated from Garcinia Morella with an antiangiogenic activity[1]. Morellic acid is isolated from Garcinia Morella with an antiangiogenic activity[1].
Methyl (2R)-[(1S,2R,4S,5R,9R,10R,13R,14S,15S,17S)-17-acetoxy-9-(3-furyl)-1-hydroxy-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.02,4 04,13 05,10]octadec-15-yl](hydroxy)acetate
5alpha-acetoxy-20-(benzoyloxy)-2alpha,4alpha,7beta,9alpha,15-pentahydroxy-10-oxo-10,19-epoxy-11(15->1)abeo-tax-11(12)-ene|taiwantaxin B
Steffimycin D
An anthracycline antibiotic that is steffimycin in which the carbonyl group that is adjacent to the carbon bearing both a hydroxy group and a methyl group has been reduced to the corresponding methylene group. An antitumour anthracycline first isolated from Streptomyces steffisburgensis.
beta-D-(1-acetyl-3-feruloyl)fructofuranosyl-alpha-D-glucopyranoside
4beta,15-dihydro-3beta-acetoxy-8beta-5(5-acetoxytigloyl)-4-hydroxytigloyloxyzaluzanin C|4beta,15-dihydro-3beta-acetoxy-8beta-5<5-acetoxytigloyl>-4-hydroxytigloyloxyzaluzanin C
20-acetoxy-2alpha-benxyloxy-4alpha,5alpha,7beta,9alpha,13alpha-pentahydroxy-11(15-1),11(10-9)bisabeotax-11-eno-10,15-lactone
(3R,3aR,5aS,6S,7aR,8S,9S,11S,13aS,14aR)-dodecahydro-3,8,9-trihydroxy-5,5,11-trimethyl-11-[(2S,3Z)-2-methyl-3-(4-methyl-5-oxofuran-2(5H)-ylidene)propanoyl]-2H,5H-6,8:9,13a-diepoxycycloocta[5,6]cyclohepta[1,2-c]furo[3,2-b]furan-2(14H)-one|schicagenin E
rel-(2R,3S,5S,1S,3R)-2,5,1,3-tetra(4-hydroxyphenyl)-4-methylene-4,5,3,4,6,7-hexahydro-1H,2H-spiro[furan-3,5-isobenzofuran]|ribesin H
(3R)-(-)-isomucronulatol-(6->alpha)-propterol B|oxytropisoflavan A
1beta-O-beta-D-glucopyranosyl-15-O-(p-hydroxyphenylacetyl)-5alpha,6betaH-eudesma-3,11(13)-dien-12,6alpha-olide
1,3,6-Tri(4-hydroxybenzyl)-4-methoxy-9,10-dihydrophenanthrene-2,7-diol
(rel-3R,3aS,4aR,5aS,7aS,8aR,11aR,13aS,15R,15aR,17S,17aS,17bS,17cS)-tetradecahydro-15,17-dihydroxy-3,4a,5a,13,13-pentamethyl-8H-7a,17-epoxy-10H-furo[3,2-b]furo[3,2:2,3]furo[3,4: 4,5]cyclohepta[1,2: 5,6]cycloocta[1,2:4,5]cyclopenta[1,2-d]furan-2,5,10,16-(3H,7H,13H)-tetrone|lancifodilactone R
(19Xi)-19,20-epoxy-2,10-dihydroxy-4-methyl-16-(3t-phenyl-acryloyloxymethyl)-(2alpha,20betaH)-1,2,19,20-tetrahydro-4,5-seco-akuammilane-5,17-dioic acid 5->2-lactone 17-methyl ester|10-Hydroxy-lanciferin|10-hydroxy-lanciferine
(19Xi)-19,20-epoxy-2,10-dihydroxy-4-methyl-16-(3t-phenyl-acryloyloxymethyl)-(2alpha,20betaH)-1,2,19,20-tetrahydro-4,5-seco-akuammilane-5,17-dioic acid 5->2-lactone 17-methyl ester|10-hydroxy-lanciferine|10-Hydroxylanciferin
(7R,11R,19R,23R)-2,4,14,16-tetrahydroxy-7,11,19,23-tetramethyl-7,8,11,12,19,20,23,24-octahydrodibenzo[g,q][1,5,11,15]tetraoxacycloicosine-5,9,17,21-tetraone|15G256iota
3-O-beta-D-glucopyranosyl-14-O-(p-hydroxyphenylacetyl)-3beta,14-dihydroxycostunolide
(6-O-feruroyl)-beta-D-fructofuranosyl-(6-O-acetyl)-alpha-D-glucopyranoside
Tyr His Ile Glu
His Glu Phe Glu
C29H36O11_7,11-Methano-2H,4H-oxireno[1,8]cycloocta[1,2-f][2]benzopyran-8-acetic acid, 10-(acetyloxy)-4-(3-furanyl)dodecahydro-alpha,11-dihydroxy-4a,7,9,9-tetramethyl-2,13-dioxo-, methyl ester, (alphaR,4R,4aR,7S,8S,10S,11S,11aR,12aS)
methyl (2R)-2-[(1S,2R,4S,9R,10R,14S,15S,17S)-17-(acetyloxy)-9-(furan-3-yl)-1-hydroxy-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.0²,⁴.0⁴,¹³.0⁵,¹⁰]octadecan-15-yl]-2-hydroxyacetate
methyl (2R)-2-[(1S,2R,4S,9R,10R,14S,15S,17S)-17-(acetyloxy)-9-(furan-3-yl)-1-hydroxy-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.0²,⁴.0⁴,¹³.0⁵,¹⁰]octadecan-15-yl]-2-hydroxyacetate_major
methyl (2R)-2-[(1S,2R,4S,9R,10R,14S,15S,17S)-17-(acetyloxy)-9-(furan-3-yl)-1-hydroxy-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.0²,?.0?,¹³.0?,¹?]octadecan-15-yl]-2-hydroxyacetate
Cys Glu Phe Tyr
Cys Glu Tyr Phe
Cys Phe Glu Tyr
Cys Phe Tyr Glu
Cys Ile Tyr Tyr
Cys Leu Tyr Tyr
Cys Pro Arg Trp
Cys Pro Trp Arg
Cys Arg Pro Trp
Cys Arg Trp Pro
Cys Trp Pro Arg
Cys Trp Arg Pro
Cys Tyr Glu Phe
Cys Tyr Phe Glu
Cys Tyr Ile Tyr
Cys Tyr Leu Tyr
Cys Tyr Tyr Ile
Cys Tyr Tyr Leu
Asp Ile Gln Trp
Asp Ile Trp Gln
Asp Leu Gln Trp
Asp Leu Trp Gln
Asp Gln Ile Trp
Asp Gln Leu Trp
Asp Gln Trp Ile
Asp Gln Trp Leu
Asp Thr Tyr Tyr
Asp Tyr Thr Tyr
Asp Tyr Tyr Thr
Glu Cys Phe Tyr
Glu Cys Tyr Phe
Glu Glu Phe His
Glu Glu His Phe
Glu Glu Gln Arg
Glu Glu Arg Gln
Glu Phe Cys Tyr
Glu Phe Glu His
Glu Phe His Glu
Glu Phe Tyr Cys
Glu His Glu Phe
Glu His Phe Glu
Glu Gln Glu Arg
Glu Gln Arg Glu
Glu Arg Glu Gln
Glu Arg Gln Glu
Glu Ser Tyr Tyr
Glu Tyr Cys Phe
Glu Tyr Phe Cys
Glu Tyr Ser Tyr
Glu Tyr Tyr Ser
Phe Cys Glu Tyr
Phe Cys Tyr Glu
Phe Glu Cys Tyr
Phe Glu Glu His
Phe Glu His Glu
Phe Glu Tyr Cys
Phe His Glu Glu
Phe Met Thr Tyr
Phe Met Tyr Thr
Phe Thr Met Tyr
Phe Thr Tyr Met
Phe Tyr Cys Glu
Phe Tyr Glu Cys
Phe Tyr Met Thr
Phe Tyr Thr Met
His Glu Glu Phe
His Phe Glu Glu
His His His Met
His His Met His
His Met His His
His Asn Gln Tyr
His Asn Tyr Gln
His Gln Asn Tyr
His Gln Tyr Asn
His Tyr Asn Gln
His Tyr Gln Asn
Ile Cys Tyr Tyr
Ile Tyr Cys Tyr
Ile Tyr Tyr Cys
Leu Cys Tyr Tyr
Leu Tyr Cys Tyr
Leu Tyr Tyr Cys
Met Phe Thr Tyr
Met Phe Tyr Thr
Met His His His
Met Pro Gln Trp
Met Pro Trp Gln
Met Gln Pro Trp
Met Gln Trp Pro
Met Thr Phe Tyr
Met Thr Tyr Phe
Met Trp Pro Gln
Met Trp Gln Pro
Met Tyr Phe Thr
Met Tyr Thr Phe
Asn His Gln Tyr
Asn His Tyr Gln
Asn Asn Gln Trp
Asn Asn Trp Gln
Asn Gln His Tyr
Asn Gln Asn Trp
Asn Gln Trp Asn
Asn Gln Tyr His
Asn Trp Asn Gln
Asn Trp Gln Asn
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Asn Tyr Gln His
Pro Cys Arg Trp
Pro Cys Trp Arg
Pro Met Gln Trp
Pro Met Trp Gln
Pro Gln Met Trp
Pro Gln Trp Met
Pro Arg Cys Trp
Pro Arg Trp Cys
Pro Trp Cys Arg
Pro Trp Met Gln
Pro Trp Gln Met
Pro Trp Arg Cys
Gln Glu Glu Arg
Gln Glu Arg Glu
Gln His Asn Tyr
Gln His Tyr Asn
Gln Met Pro Trp
Gln Met Trp Pro
Gln Asn His Tyr
Gln Asn Asn Trp
Gln Asn Trp Asn
Gln Asn Tyr His
Gln Pro Met Trp
Gln Pro Trp Met
Gln Arg Glu Glu
Gln Trp Met Pro
Gln Trp Asn Asn
Gln Trp Pro Met
Gln Tyr His Asn
Gln Tyr Asn His
Arg Cys Pro Trp
Arg Cys Trp Pro
Arg Glu Glu Gln
Arg Glu Gln Glu
Arg Pro Cys Trp
Arg Pro Trp Cys
Arg Gln Glu Glu
Arg Trp Cys Pro
Arg Trp Pro Cys
Ser Glu Tyr Tyr
Ser Tyr Glu Tyr
Ser Tyr Tyr Glu
Thr Asp Tyr Tyr
Thr Phe Met Tyr
Thr Phe Tyr Met
Thr Met Phe Tyr
Thr Met Tyr Phe
Thr Tyr Asp Tyr
Thr Tyr Phe Met
Thr Tyr Met Phe
Thr Tyr Tyr Asp
Trp Cys Pro Arg
Trp Cys Arg Pro
Trp Met Pro Gln
Trp Met Gln Pro
Trp Asn Asn Gln
Trp Asn Gln Asn
Trp Pro Cys Arg
Trp Pro Met Gln
Trp Pro Gln Met
Trp Pro Arg Cys
Trp Gln Met Pro
Trp Gln Asn Asn
Trp Gln Pro Met
Trp Arg Cys Pro
Trp Arg Pro Cys
Tyr Cys Glu Phe
Tyr Cys Phe Glu
Tyr Cys Ile Tyr
Tyr Cys Leu Tyr
Tyr Cys Tyr Ile
Tyr Cys Tyr Leu
Tyr Asp Thr Tyr
Tyr Asp Tyr Thr
Tyr Glu Cys Phe
Tyr Glu Phe Cys
Tyr Glu Ser Tyr
Tyr Glu Tyr Ser
Tyr Phe Cys Glu
Tyr Phe Glu Cys
Tyr Phe Met Thr
Tyr Phe Thr Met
Tyr His Asn Gln
Tyr His Gln Asn
Tyr Ile Cys Tyr
Tyr Ile Tyr Cys
Tyr Leu Cys Tyr
Tyr Leu Tyr Cys
Tyr Met Phe Thr
Tyr Met Thr Phe
Tyr Asn His Gln
Tyr Asn Gln His
Tyr Gln His Asn
Tyr Gln Asn His
Tyr Ser Glu Tyr
Tyr Ser Tyr Glu
Tyr Thr Asp Tyr
Tyr Thr Phe Met
Tyr Thr Met Phe
Tyr Thr Tyr Asp
Tyr Tyr Cys Ile
Tyr Tyr Cys Leu
Tyr Tyr Asp Thr
Tyr Tyr Glu Ser
Tyr Tyr Ile Cys
Tyr Tyr Leu Cys
Tyr Tyr Ser Glu
Tyr Tyr Thr Asp
4-Coumaroyl arabinoxylan
Vardenafil dihydrochloride
D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors > D058986 - Phosphodiesterase 5 Inhibitors C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor > C2127 - cGMP Phosphodiesterase Inhibitor D000089162 - Genitourinary Agents > D064804 - Urological Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
3,6-Di-O-acetyl-4-O-(2,3,4,6-tetra-O-acetyl-beta-D-galactopyranosyl)-D-glucal
2-benzofuran-1,3-dione,furan-2,5-dione,2-(2-hydroxyethoxy)-5-(3-hydroxypropoxy)pentane-1,3-diol,propane-1,2-diol
2-O-Methyl-5-O-DMT-Uridine;DMT-2-OMe-U
5’-O-(4,4’-Dimethoxytrityl)-2’-O-methyluridine is a uridine analog. Uridine has potential antiepileptic effects, and its analogs can be used to study anticonvulsant and anxiolytic activities, as well as to develop new antihypertensive agents[1].
9-[1,1-Biphenyl]-4-yl-9-phenyl-3,3-bi-9H-carbazole
9-[1,1-Biphenyl]-3-yl-9-phenyl-3,3-bi-9H-carbazole
[4-[(2-AMino-3-Methyl-1-oxobutyl)aMino]-2-hydroxy-5-phenyl-1-(phenylMethyl)pentyl]-carbaMic Acid 5-ThiazolylMethyl Ester Monohydrochloride
3,3-(3,7,12,17-Tetramethyl-8,13-divinyl-2,18-porphyrindiyl)dipro panoate
N-s-butyl-N-[(2R,3S)-3-({[(3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-yloxy]carbonyl}amino)-2-hydroxy-4-phenylbutyl]-4-(hydroxymethyl)benzenesulfonamide
9-(3,5-Dimethoxyphenyl)-1-[4-(1-piperazinyl)-3-(trifluoromethyl)phenyl]-2-benzo[h][1,6]naphthyridinone
3-[(3-Sec-butyl-4-hydroxybenzoyl)amino]azepan-4-YL 4-(2-hydroxy-5-methoxybenzoyl)benzoate
n-1,2,3,4-Tetrahydronaphth-1-yl-2-[3,5-dimethoxybenzamido]-2-deoxy-adenosine
Quizartinib
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor
Protoporphyrinate
D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents COVID info from COVID-19 Disease Map D003879 - Dermatologic Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
(2Z)-4-[(1R,3aS,5S,14aS)-8-hydroxy-3,3,11,11-tetramethyl-13-(3-methylbut-2-en-1-yl)-7,15-dioxo-5,7-dihydro-3H,11H-1,5-methanofuro[3,4-g]pyrano[3,2-b]xanthen-3a(4H)-yl]-2-methylbut-2-enoic acid
3-bromo-N-[2-[(3R,6S)-6-[(4-methoxyphenyl)methyl]-3-(phenylmethyl)-2,3,5,6-tetrahydroimidazo[1,2-a]imidazol-7-yl]ethyl]-4-methylbenzamide
beta-D-Araf-(1->2)-alpha-D-Araf-(1->3)-alpha-D-Araf-(1->5)-alpha-D-Araf-OMe
beta-D-Araf-(1->2)-alpha-D-Araf-(1->5)-alpha-D-Araf-(1->5)-alpha-D-Araf-OMe
(3aR,10bR)-3a-[2-(benzenesulfonyl)ethyl]-2-[4-(3-hydroxypropoxy)phenyl]-5-prop-2-enyl-6,10b-dihydrooxazolo[4,5-d][2]benzazepin-4-one
2-[(3R,6aR,8S,10aR)-1-(2-fluorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-benzylpiperidin-1-yl)ethanone
2-[(3S,6aS,8R,10aS)-1-(2-fluorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-[4-(phenylmethyl)-1-piperidinyl]ethanone
[(1S)-7-methoxy-9-methyl-2-(4-methylphenyl)sulfonyl-1-(3-pyridinylmethyl)-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,4-piperidine]yl]methanol
N-[(2R,4aS,12aS)-2-[2-(2,5-difluoroanilino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-cyanobenzamide
[(1R)-7-methoxy-9-methyl-2-(4-methylphenyl)sulfonyl-1-(3-pyridinylmethyl)-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,4-piperidine]yl]methanol
methyl (2R)-2-[(1S,2R,4S,5R,9R,10R,14S,15S,17S)-17-acetyloxy-9-(furan-3-yl)-1-hydroxy-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.02,4.04,13.05,10]octadecan-15-yl]-2-hydroxyacetate
Sotorasib
A pyridopyrimidine that is pyrido[2,3-d]pyrimidin-2(1H)-one substituted by 4-methyl-2-(propan-2-yl)pyridin-3-yl, (2S)-2-methyl-4-(prop-2-enoyl)piperazin-1-yl, fluoro and 2-fluoro-6-hydroxyphenyl groups at positions 1, 4, 6 and 7, respectively. It is approved for the treatment of patients with non-small cell lung cancer having KRAS(G12C) mutations. D000970 - Antineoplastic Agents > D000074322 - Antineoplastic Agents, Immunological > D000082082 - Immune Checkpoint Inhibitors C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1902 - Ras Inhibitor L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor Sotorasib (AMG-510) is a first-in-class, orally bioavailable, and selective KRAS G12C covalent inhibitor. Sotorasib irreversibly inhibits KRAS G12C by locking it in an inactive GDP-bound state. Sotorasib is the first KRAS G12C inhibitor in clinical development and leads to the regression of KRAS G12C tumors[1][2]. Sotorasib racemate (Compound A) is an orally active racemate of Sotorasib (HY-114277), a covalent inhibitor of KRAS G12C mutant which induces adaptive feedback activation of MAPK pathway. Sotorasib racemate also exerts inhibitor activity against KRAS G12C induced cancer and can be applied to cancer research[1].
Protoporphyrin(2-)
The dicarboxylate anion of protoporphyrin, obtained by deprotonation of both carboxy groups.
[5-[3,5-dihydroxy-2-(1,3,4-trihydroxy-5-oxopentan-2-yl)oxyoxan-4-yl]oxy-3,4-dihydroxyoxolan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
Anti-virus agent 1
Anti-virus agent 1 (compound 4i), a phosphoramidate proagent of GS-5734 (HY-104077; Remdesivir), has potent antiviral activity. Anti-virus agent 1 is used for the research of coronavirus and Ebola virus (EBOV)[1][2].
K-Ras G12C-IN-4
K-Ras G12C-IN-4, compound 1, is a potent Covalent Inhibitor of KRASG12C[1].
2-({6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-4-hydroxy-2,5-bis(hydroxymethyl)oxolan-3-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
(1r,2r,4s,6s,7r,8s,9r,10s,11r,13s,15s,16r,17r)-6,7,8,9-tetrahydroxy-8-(hydroxymethyl)-4,17-dimethyl-5-oxo-13-phenyl-15-(prop-1-en-2-yl)-12,14,18-trioxapentacyclo[11.4.1.0¹,¹⁰.0²,⁶.0¹¹,¹⁵]octadecan-16-yl acetate
[(1r,7s,9r,16r,18r,19r)-1,3,14-trihydroxy-19-{[(2s,5s,6s)-5-hydroxy-6-methyloxan-2-yl]oxy}-7,18-dimethyl-5,12-dioxo-8,17-dioxapentacyclo[14.2.2.0²,¹⁵.0⁴,¹³.0⁶,¹¹]icosa-2(15),3,6(11),13-tetraen-9-yl]acetic acid
[(2r,3s,4s,5r,6s)-6-{[(2r,3r)-3,5-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-en-1-yl)-4-oxo-2,3-dihydro-1-benzopyran-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate
10,15,27-trihydroxy-9,15-dimethyl-7,12,20,25,28-pentaoxaheptacyclo[21.4.3.1⁸,¹¹.1¹⁰,¹⁴.0¹,²⁴.0⁹,¹⁸.0¹³,¹⁸]dotriaconta-4,22-diene-6,21,26-trione
(1s,3r,7r,10s,12r,13r,15s,16s,17s,18s,21r,22s,24r,26s)-12,15-dihydroxy-9,9,21,24,26-pentamethyl-4,8,19,23,29-pentaoxaoctacyclo[13.13.1.0¹,¹³.0³,⁷.0³,¹⁰.0¹⁶,²⁶.0¹⁷,²⁴.0¹⁸,²²]nonacosane-5,14,20,25-tetrone
methyl 2-[(1s,3s,5r,7s,8r,10s,12s,13r)-5-(acetyloxy)-13-[(5s)-5-hydroxy-2-oxo-5h-furan-3-yl]-6,6,8,12-tetramethyl-17-methylidene-9,15-dioxo-2,14-dioxatetracyclo[8.6.1.0¹,¹².0³,⁸]heptadecan-7-yl]acetate
(1s,3r,7r,10s,12s,13r,15r,17s,18r,21r,22s,23s,25s,29s)-12,18-dihydroxy-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
(2r,3r,4s,5r,6r)-3-hydroxy-2-(hydroxymethyl)-5-{[2-(4-hydroxyphenyl)acetyl]oxy}-6-{[(2r,4r)-2-methyl-6-oxooxan-4-yl]oxy}oxan-4-yl 2-(4-hydroxyphenyl)acetate
2-(3,5-dihydroxyphenyl)-1-[ethoxy(4-hydroxy-3-methoxyphenyl)methyl]-3-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-1h-indene-4,6-diol
(1s,3r,7r,10s,12s,13r,15s,17r,18s,21r,22s,23r,25s,29s)-7,12-dihydroxy-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
[(1r,5s,10s,11s,12r,13s,14s,16s)-14-(acetyloxy)-5,11,13,16-tetrahydroxy-10-(2-hydroxypropan-2-yl)-7-methyl-4-oxo-3-oxatetracyclo[10.4.0.0¹,⁵.0⁶,¹⁰]hexadec-6-en-13-yl]methyl benzoate
3,9,22,23-tetrahydroxy-1,5,20-trimethyl-6-(5-oxo-2h-furan-3-yl)-11,17,19,24-tetraoxaheptacyclo[12.12.0.0²,¹⁰.0⁵,⁹.0¹⁰,¹².0¹⁶,²⁵.0¹⁸,²³]hexacos-14-en-4-one
3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-({2-hydroxy-4-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-methoxyphenyl}methyl)-5-methoxyphenol
(1s,2r,3s,5r,6r,9r,10r,12s,14r,16r,18s,20r,23r,25r)-3,9,23-trihydroxy-1,5,20-trimethyl-6-(5-oxo-2h-furan-3-yl)-11,17,19,24-tetraoxaheptacyclo[12.12.0.0²,¹⁰.0⁵,⁹.0¹⁰,¹².0¹⁶,²⁵.0¹⁸,²³]hexacosane-4,22-dione
6-(acetyloxy)-7-[(acetyloxy)methyl]-4-({[3,5-dihydroxy-6-(hydroxymethyl)-4-oxooxan-2-yl]oxy}methyl)-7-hydroxy-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-1-yl 3-methylbutanoate
(1s,3r,7r,10s,12s,13r,15s,17s,18r,21r,22s,23r,25s,29s)-12,18-dihydroxy-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
5-(acetyloxy)-4,7,9,12-tetrahydroxy-4-(hydroxymethyl)-8,11,14,14-tetramethyl-16-oxo-15-oxatetracyclo[7.4.3.0¹,¹⁰.0³,⁸]hexadec-10-en-2-yl benzoate
4-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-9-hydroxy-3,6,10-trimethyl-3h,3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-2-one
methyl (2s)-2-[(1s,2r,3s,4r,7s,8s,12r,14r,15s,16r,17s,18s)-1-(acetyloxy)-8-(furan-3-yl)-3,15-dihydroxy-7,16,18-trimethyl-10-oxo-9,13-dioxahexacyclo[14.2.1.0²,¹⁴.0³,¹².0⁴,¹⁸.0⁷,¹²]nonadecan-17-yl]-2-hydroxyacetate
3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-({2-hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-4-methoxyphenyl}methyl)-5-methoxyphenol
1,3,6-tri(4-hydroxybenzyl)-4-methoxydihydro-phenanthrene-2,7-diol
{"Ingredient_id": "HBIN001085","Ingredient_name": "1,3,6-tri(4-hydroxybenzyl)-4-methoxydihydro-phenanthrene-2,7-diol","Alias": "NA","Ingredient_formula": "C36H32O6","Ingredient_Smile": "COC1=C(C(=C(C2=C1C3=CC(=C(C=C3CC2)O)CC4=CC=C(C=C4)O)CC5=CC=C(C=C5)O)O)CC6=CC=C(C=C6)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21674","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
14beta-hudroxy-10-deacetylbaccatin iii
{"Ingredient_id": "HBIN001382","Ingredient_name": "14beta-hudroxy-10-deacetylbaccatin iii","Alias": "NA","Ingredient_formula": "C29H36O11","Ingredient_Smile": "CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(C(C1O)O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31174","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
14β-hydroxy-10-deacetylbaccatin iii
{"Ingredient_id": "HBIN001383","Ingredient_name": "14\u03b2-hydroxy-10-deacetylbaccatin iii","Alias": "NA","Ingredient_formula": "C29H36O11","Ingredient_Smile": "CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(C(C1O)O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9961","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-debenzoyl-14beta-benzoyloxy-10-deacetylbaccatin iii
{"Ingredient_id": "HBIN005511","Ingredient_name": "2-debenzoyl-14beta-benzoyloxy-10-deacetylbaccatin iii","Alias": "2-debenzoyl-14\u03b2-benzoyloxy-10-deacetyl-baccatin iii","Ingredient_formula": "C29H36O11","Ingredient_Smile": "CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(C(C1O)OC(=O)C5=CC=CC=C5)O)O)(CO4)OC(=O)C)O)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "26020;4802","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}