Exact Mass: 532.1991601999999
Exact Mass Matches: 532.1991601999999
Found 500 metabolites which its exact mass value is equals to given mass value 532.1991601999999
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Nomilinic acid
Nomilinic acid is found in citrus. Nomilinic acid is a constituent of grapefruit seeds
Austalide E
Austalide E is a metabolite of Aspergillus ustus. Metabolite of Aspergillus ustus.
Austalide D
Austalide D is a metabolite of Aspergillus ustu Metabolite of Aspergillus ustus.
Ponatinib
C29H27F3N6O (532.2198328000001)
Ponatinib is a Bcr-Abl tyrosine kinase inhibitor that is especially effective against the T315I mutation for the treatment of chronic myeloid leukemia. FDA approved on December 14, 2012 (DB08901). L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors > L01EA - Bcr-abl tyrosine kinase inhibitors C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor > C93259 - VEGFR Tyrosine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163790 - Flt-3-targeting Agent C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163953 - VEGFR-targeting Agent C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C164037 - PDGFR-targeting Agent C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163999 - cKIT-targeting Agent C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C159198 - c-KIT Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C164035 - FGFR-targeting Agent C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C155727 - FGFR Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C159438 - RET Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C155700 - BCR-ABL Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors D000970 - Antineoplastic Agents
Dehydroandrographolide succinate
3-[3-[4-[5-(2-Carboxyethyl)-2-hydroxyphenyl]-1,4-bis(carboxymethylamino)butyl]-4-hydroxyphenyl]propanoic acid
Plevitrexed
C26H25FN8O4 (532.1982701999999)
Dehydroandrographolidesuccinate
Dehydroandrographolide succinate, extracted from herbal medicine Andrographis paniculata (Burm f) Nees, is widely used for the treatment of viral pneumonia and viral upper respiratory tract infections because of its immunostimulatory, anti-infective and anti-inflammatory effect[1]. Dehydroandrographolide succinate, extracted from herbal medicine Andrographis paniculata (Burm f) Nees, is widely used for the treatment of viral pneumonia and viral upper respiratory tract infections because of its immunostimulatory, anti-infective and anti-inflammatory effect[1].
[3R-(3alpha,5beta,5aalpha,6alpha,7alpha,9alpha,9aalpha,10R*)]-Octahydro-5a-(hydroxymethyl)-2,2,9-trimethyl-, 6,7,10-triacetate 5-benzoate 2H-3,9a-methano-1-benzoxepin-5,6,7,10-tetrol
Ejap 10
[3R-(3alpha,5beta,5aalpha,6alpha,9beta,9aalpha,10R*)]-5a-[(Acetyloxy)methyl]octahydro-2,2,9-trimethyl-2H-3,9a-methano-1-benzoxepin-5,6,9,10-tetrol 5,10-diacetate 6-benzoate
Rzedowskin A
[3R-(3alpha,4beta,5alpha,5aalpha,6alpha,9beta,9aalpha,10R*)]-Octahydro-2,2,5a,9-tetramethyl-, 4,5,10-triacetate 6-benzoate 2H-3,9a-methano-1-benzoxepin-4,5,6,9,10-pentol
4-Hydroxyrottlerin
(1S,4S,5S,6R,7R,9S,10S)-9-benzoyloxy-1,6,15-triacetoxy-4-hydroxy-dihydro-beta-agarofuran|9-Benzoyl,1,6,14-tri-Ac-(1alpha,4beta,6beta,9beta)-1,4,6,8,14-Pentahydroxydihydro-beta-agarofuran
4-[(beta-D-glucopyranosyl)oxy]-2-(hydroxymethyl)-3-(3-methylbut-2-en-1-yl)phenyl beta-D-glucopyranoside|clemomandshuricoside C
6beta,9beta,14-Triacetoxy-1alpha-benzoyloxy-4beta-hydroxydihydro-beta-agarofuran
(2E)-22-demethyl-2,3-didehydro-3-deoxy-maytansinol|(3E,5E,7R,84S,12E)-14-chloro-10t,11c-epoxy-84-hydroxy-15,7r-dimethoxy-3,9c,11t-trimethyl-(84rH,86cH)-15-aza-1(1,3)-benzena-8(4,6)-[1,3]oxazinana-cyclopentadecaphane-3,5,12-triene-82,14-dione|Normaysin|Normaysin (6)|normaysine
1alpha-acetoxy-6beta,9beta-difuroyloxy-2alpha,4beta-dihydroxy-dihydro-beta-agarofuran
1-[6-[(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-5,7-dihydroxy-2,2-dimethylchromen-8-yl]-3-(4-hydroxyphenyl)prop-2-en-1-one
benzyl-7-O-(5-O-trans-cinnamoyl-beta-D-apiosyl)-(1->3)-beta-D-glucopyranoside
(1S,4S,5S,6R,7R,9S,10S)-1,6,15-triacetoxy-9-benzoyloxy-4-hydroxy-8-oxo-dihydro-beta-agarofuran
3-[gamma-hydroxymethyl-(z)-gamma-methylallyl]-2,4,2,4-tetrahydroxychalcone 11-O-ferulate|gemichalcone C
(1alpha,2alpha,8beta,9beta)-2,8,14-tris(acetyloxy)-9-(benzoyloxy)-1-hydroxydihydro-beta-agarofuran|rel-5a-[(acetyloxy)methyl]octahydro-2,2,9-trimethyl-2H-3,9a-methano-1-benzoxepin-4,5,6,7-tetrol 4,7-diacetate 5-benzoate
12-Oxo-2beta,3beta-di-O-acetyl-5beta,11alpha-dihydroxybufalin
12-hydroxyamoorastatone|12alpha-hydroxyamoorastatone|isochuanliansu
His Val Tyr Asp
Asn Asp Glu Arg
Asp His Phe Asp
1-O-Deacetyl-2α-hydroxykhayanolide E
C28H36O10_2-Hydroxy-13,20-dimethoxy-4,7,17,22,22-pentamethyl-11-oxo-5,10,21,23-tetraoxahexacyclo[18.2.1.0~1,17~.0~4,16~.0~6,14~.0~8,12~]tricosa-6(14),7,12-trien-18-yl acetate
Ala Glu Gln Trp
Ala Glu Trp Gln
Ala Gln Glu Trp
Ala Gln Trp Glu
Ala Trp Glu Gln
Ala Trp Gln Glu
Cys Phe Thr Tyr
C25H32N4O7S (532.1991601999999)
Cys Phe Tyr Thr
C25H32N4O7S (532.1991601999999)
Cys His His His
Cys Pro Gln Trp
Cys Pro Trp Gln
Cys Gln Pro Trp
Cys Gln Trp Pro
Cys Thr Phe Tyr
C25H32N4O7S (532.1991601999999)
Cys Thr Tyr Phe
C25H32N4O7S (532.1991601999999)
Cys Trp Pro Gln
Cys Trp Gln Pro
Cys Tyr Phe Thr
C25H32N4O7S (532.1991601999999)
Cys Tyr Thr Phe
C25H32N4O7S (532.1991601999999)
Asp Asp Phe His
Asp Asp His Phe
Asp Asp Gln Arg
Asp Asp Arg Gln
Asp Glu Asn Arg
Asp Glu Arg Asn
Asp Phe Asp His
Asp Phe His Asp
Asp His Asp Phe
Asp His Met Met
Asp His Val Tyr
Asp His Tyr Val
Asp Met His Met
Asp Met Met His
Asp Asn Glu Arg
Asp Asn Arg Glu
Asp Asn Val Trp
Asp Asn Trp Val
Asp Gln Asp Arg
Asp Gln Arg Asp
Asp Arg Asp Gln
Asp Arg Glu Asn
Asp Arg Asn Glu
Asp Arg Gln Asp
Asp Val His Tyr
Asp Val Asn Trp
Asp Val Trp Asn
Asp Val Tyr His
Asp Trp Asn Val
Asp Trp Val Asn
Asp Tyr His Val
Asp Tyr Val His
Glu Ala Gln Trp
Glu Ala Trp Gln
Glu Asp Asn Arg
Glu Asp Arg Asn
Glu Glu Gln Gln
C20H32N6O11 (532.2128961999999)
Glu Phe His Thr
Glu Phe Thr His
Glu His Phe Thr
Glu His Thr Phe
Glu Asn Asp Arg
Glu Asn Arg Asp
Glu Gln Ala Trp
Glu Gln Glu Gln
C20H32N6O11 (532.2128961999999)
Glu Gln Gln Glu
C20H32N6O11 (532.2128961999999)
Glu Gln Trp Ala
Glu Arg Asp Asn
Glu Arg Asn Asp
Glu Thr Phe His
Glu Thr His Phe
Glu Trp Ala Gln
Glu Trp Gln Ala
Phe Cys Thr Tyr
C25H32N4O7S (532.1991601999999)
Phe Cys Tyr Thr
C25H32N4O7S (532.1991601999999)
Phe Asp Asp His
Phe Asp His Asp
Phe Glu His Thr
Phe Glu Thr His
Phe Phe Gly Tyr
Phe Phe Tyr Gly
Phe Gly Phe Tyr
Phe Gly Tyr Phe
Phe His Asp Asp
Phe His Glu Thr
Phe His Thr Glu
Phe Thr Cys Tyr
C25H32N4O7S (532.1991601999999)
Phe Thr Glu His
Phe Thr His Glu
Phe Thr Tyr Cys
C25H32N4O7S (532.1991601999999)
Phe Tyr Cys Thr
C25H32N4O7S (532.1991601999999)
Phe Tyr Thr Cys
C25H32N4O7S (532.1991601999999)
Gly Met Tyr Tyr
C25H32N4O7S (532.1991601999999)
Gly Tyr Met Tyr
C25H32N4O7S (532.1991601999999)
Gly Tyr Tyr Met
C25H32N4O7S (532.1991601999999)
His Cys His His
His Asp Asp Phe
His Asp Phe Asp
His Asp Met Met
His Asp Val Tyr
His Asp Tyr Val
His Glu Phe Thr
His Glu Thr Phe
His Phe Asp Asp
His Phe Glu Thr
His Phe Thr Glu
His His Cys His
His His His Cys
His Met Asp Met
His Met Met Asp
His Thr Glu Phe
His Thr Phe Glu
His Val Asp Tyr
His Tyr Asp Val
His Tyr Val Asp
Met Asp His Met
Met Asp Met His
Met Gly Tyr Tyr
C25H32N4O7S (532.1991601999999)
Met His Asp Met
Met His Met Asp
Met Met Asp His
Met Met His Asp
Met Tyr Gly Tyr
C25H32N4O7S (532.1991601999999)
Met Tyr Tyr Gly
C25H32N4O7S (532.1991601999999)
Asn Asp Arg Glu
Asn Asp Val Trp
Asn Asp Trp Val
Asn Glu Asp Arg
Asn Glu Arg Asp
Asn Arg Asp Glu
Asn Arg Glu Asp
Asn Val Asp Trp
Asn Val Trp Asp
Asn Trp Asp Val
Asn Trp Val Asp
Pro Cys Gln Trp
Pro Cys Trp Gln
Pro Gln Cys Trp
Pro Gln Trp Cys
Pro Trp Cys Gln
Pro Trp Gln Cys
Gln Ala Glu Trp
Gln Ala Trp Glu
Gln Cys Pro Trp
Gln Cys Trp Pro
Gln Asp Asp Arg
Gln Asp Arg Asp
Gln Glu Ala Trp
Gln Glu Glu Gln
C20H32N6O11 (532.2128961999999)
Gln Glu Gln Glu
C20H32N6O11 (532.2128961999999)
Gln Glu Trp Ala
Gln Pro Cys Trp
Gln Pro Trp Cys
Gln Gln Glu Glu
C20H32N6O11 (532.2128961999999)
Gln Arg Asp Asp
Gln Trp Ala Glu
Gln Trp Cys Pro
Gln Trp Glu Ala
Gln Trp Pro Cys
Arg Asp Asp Gln
Arg Asp Glu Asn
Arg Asp Asn Glu
Arg Asp Gln Asp
Arg Glu Asp Asn
Arg Glu Asn Asp
Arg Asn Asp Glu
Arg Asn Glu Asp
Arg Gln Asp Asp
Ser Thr Tyr Tyr
Ser Tyr Thr Tyr
Ser Tyr Tyr Thr
Thr Cys Phe Tyr
C25H32N4O7S (532.1991601999999)
Thr Cys Tyr Phe
C25H32N4O7S (532.1991601999999)
Thr Glu Phe His
Thr Glu His Phe
Thr Phe Cys Tyr
C25H32N4O7S (532.1991601999999)
Thr Phe Glu His
Thr Phe His Glu
Thr Phe Tyr Cys
C25H32N4O7S (532.1991601999999)
Thr His Glu Phe
Thr His Phe Glu
Thr Ser Tyr Tyr
Thr Tyr Cys Phe
C25H32N4O7S (532.1991601999999)
Thr Tyr Phe Cys
C25H32N4O7S (532.1991601999999)
Thr Tyr Ser Tyr
Thr Tyr Tyr Ser
Val Asp His Tyr
Val Asp Asn Trp
Val Asp Trp Asn
Val Asp Tyr His
Val His Asp Tyr
Val His Tyr Asp
Val Asn Asp Trp
Val Asn Trp Asp
Val Trp Asp Asn
Val Trp Asn Asp
Val Tyr Asp His
Val Tyr His Asp
Trp Ala Glu Gln
Trp Ala Gln Glu
Trp Cys Pro Gln
Trp Cys Gln Pro
Trp Asp Asn Val
Trp Asp Val Asn
Trp Glu Ala Gln
Trp Glu Gln Ala
Trp Asn Asp Val
Trp Asn Val Asp
Trp Pro Cys Gln
Trp Pro Gln Cys
Trp Gln Ala Glu
Trp Gln Cys Pro
Trp Gln Glu Ala
Trp Gln Pro Cys
Trp Val Asp Asn
Trp Val Asn Asp
Tyr Cys Phe Thr
C25H32N4O7S (532.1991601999999)
Tyr Cys Thr Phe
C25H32N4O7S (532.1991601999999)
Tyr Asp His Val
Tyr Asp Val His
Tyr Phe Cys Thr
C25H32N4O7S (532.1991601999999)
Tyr Phe Thr Cys
C25H32N4O7S (532.1991601999999)
Tyr Gly Met Tyr
C25H32N4O7S (532.1991601999999)
Tyr Gly Tyr Met
C25H32N4O7S (532.1991601999999)
Tyr His Asp Val
Tyr His Val Asp
Tyr Met Gly Tyr
C25H32N4O7S (532.1991601999999)
Tyr Met Tyr Gly
C25H32N4O7S (532.1991601999999)
Tyr Ser Thr Tyr
Tyr Ser Tyr Thr
Tyr Thr Cys Phe
C25H32N4O7S (532.1991601999999)
Tyr Thr Phe Cys
C25H32N4O7S (532.1991601999999)
Tyr Thr Ser Tyr
Tyr Thr Tyr Ser
Tyr Val Asp His
Tyr Val His Asp
Tyr Tyr Gly Met
C25H32N4O7S (532.1991601999999)
Tyr Tyr Met Gly
C25H32N4O7S (532.1991601999999)
Tyr Tyr Ser Thr
Tyr Tyr Thr Ser
galactan
Austalide D
Austalide E
NOMILINIC ACID
Plevitrexed
C26H25FN8O4 (532.1982701999999)
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite C471 - Enzyme Inhibitor > C2021 - Thymidylate Synthase Inhibitor D000970 - Antineoplastic Agents
BENZOIC ACID, 4-[4-[(3R)-3-[[[2-OXO-2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO]ETHYL]AMINO]CARBONYL]-1-PYRROLIDINYL]-1-PIPERIDINYL]-, METHYL ESTER
Oprozomib
C25H32N4O7S (532.1991601999999)
C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2160 - Proteasome Inhibitor C471 - Enzyme Inhibitor
Bis(tert-butoxy)bis(1-methoxy-2-methyl-2-propoxy)hafnium(IV)
C18H40O6Hf (532.2290350000001)
4,6-bis(3-(2-ethylhexyl)thien-2-yl)thieno[3,4-c][1,2,5]thiadiazole
C28H40N2S4 (532.2074200000001)
Onvansertib
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 > C177899 - PLK1 Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors
Benzamide, 4-methyl-N-(4-((4-methyl-1-piperazinyl)methyl)-3-(trifluoromethyl)phenyl)-3-(2-(1,2,4-triazolo(4,3-a)pyridin-3-yl)ethynyl)-
C29H27F3N6O (532.2198328000001)
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C155700 - BCR-ABL Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor
Ponatinib
C29H27F3N6O (532.2198328000001)
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors > L01EA - Bcr-abl tyrosine kinase inhibitors C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor > C93259 - VEGFR Tyrosine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163790 - Flt-3-targeting Agent C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163953 - VEGFR-targeting Agent C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C164037 - PDGFR-targeting Agent C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163999 - cKIT-targeting Agent C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C159198 - c-KIT Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C164035 - FGFR-targeting Agent C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C155727 - FGFR Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C159438 - RET Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C155700 - BCR-ABL Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors D000970 - Antineoplastic Agents
4-[[2-(3-carboxypropanoyloxy)-1,4a-dimethyl-6-methylidene-5-[(E)-2-(5-oxo-2H-furan-4-yl)ethenyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methoxy]-4-oxobutanoic acid
longipedumin A
A lignan isolated from the roots and stems of Kadsura longipedunculata and has been shown to exhibit inhibitory activity against HIV-1 protease.
2-(4-Acetoxy-3-ethoxy-benzylidene)-7-methyl-3-oxo-5-styryl-2,3-dihydro-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester
2-[(3R,6aS,8R,10aS)-3-hydroxy-1-(4-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
2-[(3R,6aS,8S,10aS)-3-hydroxy-1-(4-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
2-[(3S,6aS,8R,10aS)-3-hydroxy-1-(4-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
2-[(3S,6aR,8S,10aR)-3-hydroxy-1-(4-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
(1S)-N-(4-fluorophenyl)-1-[(2-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]carboxamide
N-[[(2R,3S)-8-[3-(dimethylamino)prop-1-ynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-4-fluoro-N-methylbenzenesulfonamide
2-[(3R,6aR,8S,10aR)-3-hydroxy-1-(4-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
2-[(3R,6aR,8R,10aR)-3-hydroxy-1-(4-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
2-[(3S,6aR,8R,10aR)-3-hydroxy-1-(4-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
2-[(3S,6aS,8S,10aS)-3-hydroxy-1-(4-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
(1R)-N-(2-fluorophenyl)-1-[(2-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]carboxamide
(1R)-N-(4-fluorophenyl)-1-[(2-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]carboxamide
3,4,5-Trihydroxy-6-[[4-hydroxy-7-methoxy-2,2-dimethyl-6-(3-phenylpropanoyl)-3,4-dihydrochromen-5-yl]oxy]oxane-2-carboxylic acid
8-[1-(2,4-dihydroxyphenyl)-2-hydroxy-3-(3-hydroxyphenyl)propyl]-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
IPN60090
IPN-60090 is an orally active and highly selective inhibitor of glutaminase 1?(GLS1; IC50=31 nM), with no activity observed against GLS-2. IPN-60090 exhibits excellent physicochemical and pharmacokinetic properties in vivo. IPN-60090 can be used for solid tumors research, such as lung and ovarian cancers[1][2].
5,7-dihydroxy-8-(3-hydroxy-3-methylbutyl)-2-(4-methoxyphenyl)-3-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-4-one
(2s,3r,4s,5s,6r)-2-{[4-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-6,7-dimethoxy-3-methylnaphthalen-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(8r,9r,10r)-5-hydroxy-3,4,19-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2,4,6,13,18-hexaen-8-yl (2e)-3-phenylprop-2-enoate
(1r,2r,3ar,5r,13r,13as)-1,3a,13-tris(acetyloxy)-2,5,8,8-tetramethyl-12-methylidene-4,9-dioxo-1h,3h,5h,13h,13ah-cyclopenta[12]annulen-2-yl acetate
(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl 6-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}phenazine-1-carboxylate
(1s,2s,5s,6s,7s,9r,12r)-5,12-bis(acetyloxy)-6-[(acetyloxy)methyl]-2-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
(1s,2r,3s,5s,6s,8r,10s,11s,12r,14r,15s,16r,19s,21r)-6-(furan-3-yl)-3,12,16,19-tetrahydroxy-5,11,15-trimethyl-4-oxo-9,17-dioxahexacyclo[13.3.3.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0⁸,¹⁰]henicosan-21-yl acetate
(2r,3r,4s,5r,6r)-3-hydroxy-6-{[(2e)-4-hydroxy-2-methylbut-2-en-1-yl]oxy}-2-(hydroxymethyl)-5-{[2-(4-hydroxyphenyl)acetyl]oxy}oxan-4-yl 2-(4-hydroxyphenyl)acetate
(1s,2s,4s,5r,6r,7s,9r,12r)-5-(acetyloxy)-12-(furan-2-carbonyloxy)-2,4-dihydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl furan-2-carboxylate
(21s)-22-methyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.2¹⁶,¹⁹.1⁴,³⁰.1¹⁰,¹⁴.0³,⁸.0²⁵,³³.0²⁸,³²]heptatriaconta-1(30),2,4(34),7,10,12,14(37),16,18,25,27,32,35-tridecaene-13,27-diol
10-[(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-5-hydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-2h,3h-pyrano[3,2-g]chromen-4-one
(1s,2s,4r,5s,6r,7r,9r,12s)-5,12-bis(acetyloxy)-6-[(acetyloxy)methyl]-4-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
(1'r,2r,2'r,6's,7'r,10's,11'r,12'r,14's)-11'-{[(2e)-2-(hydroxymethyl)but-2-enoyl]oxy}-14'-methyl-5'-methylidene-4'-oxo-3',13'-dioxaspiro[oxirane-2,9'-tetracyclo[8.4.0.0²,⁶.0¹²,¹⁴]tetradecan]-7'-yl (2z)-2-[(acetyloxy)methyl]but-2-enoate
(1r,2s,4r,5r,6s,7s,9s,12r)-4,7-bis(acetyloxy)-2,12-dihydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-5-yl (2r,3s)-3-phenyloxirane-2-carboxylate
methyl (14e)-19-[(3,4-dimethoxybenzoyloxy)methyl]-14-ethylidene-18-oxa-2,12-diazahexacyclo[9.6.1.1⁹,¹⁵.0¹,⁹.0³,⁸.0¹²,¹⁷]nonadeca-3,5,7-triene-19-carboxylate
methyl (4z,5r,6r,8r)-6-[(5s)-5-hexyl-2-oxo-5h-furan-3-yl]-8-[(s)-hydroxy[(2s)-6-oxo-2,3-dihydropyran-2-yl]methyl]-4-(hydroxymethylidene)-1,3-dioxo-2-oxaspiro[4.4]nonane-6-carboxylate
3-hydroxy-4,5,19-trimethoxy-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 3-phenylprop-2-enoate
12-hydroxyamoorastatone
{"Ingredient_id": "HBIN000872","Ingredient_name": "12-hydroxyamoorastatone","Alias": "NA","Ingredient_formula": "C28H36O10","Ingredient_Smile": "CC(=O)OC1CC(C23COC(C1(C2CC(C4(C3C(=O)C(C5(C4C(=O)CC5C6=COC=C6)C)O)C)O)C)O)O","Ingredient_weight": "532.6 g/mol","OB_score": "NA","CAS_id": "152013-84-8","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9364","PubChem_id": "101672375","DrugBank_id": "NA"}
methyl 12-[1-(2h-1,3-benzodioxole-5-carbonyloxy)ethyl]-5-methoxy-8,16-diazapentacyclo[10.6.1.0¹,⁹.0²,⁷.0¹⁶,¹⁹]nonadeca-2,4,6,9-tetraene-10-carboxylate
2-hydroxy-13,20-dimethoxy-4,7,17,22,22-pentamethyl-11-oxo-5,10,21,23-tetraoxahexacyclo[18.2.1.0¹,¹⁷.0⁴,¹⁶.0⁶,¹⁴.0⁸,¹²]tricosa-6(14),7,12-trien-15-yl acetate
(1r,2r,4s,16r,17s,18r,20s)-2-hydroxy-13,20-dimethoxy-4,7,17,22,22-pentamethyl-11-oxo-5,10,21,23-tetraoxahexacyclo[18.2.1.0¹,¹⁷.0⁴,¹⁶.0⁶,¹⁴.0⁸,¹²]tricosa-6,8(12),13-trien-18-yl acetate
(9r,10r,11s)-3-hydroxy-4,5,19-trimethoxy-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 (2e)-3-phenylprop-2-enoate
22-methyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.2¹⁶,¹⁹.1⁴,³⁰.1¹⁰,¹⁴.0³,⁸.0²⁵,³³.0²⁸,³²]heptatriaconta-1(30),2,4(34),7,10,12,14(37),16,18,25,27,32,35-tridecaene-13,27-diol
(1r,2s,3r)-2-(3,5-dihydroxyphenyl)-1-[(r)-hydroxy(4-hydroxy-3-methoxyphenyl)methyl]-3-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-1h-indene-4,6-diol
(4s,7r,8s,18r)-4,18-bis[(2s)-butan-2-yl]-7-methyl-6-oxa-13,20-dithia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1⁵,⁸.1¹²,¹⁵]tetracosa-1(21),2,5(24),9,12(23),14,16,19(22)-octaene-2,9,16-triol
(1s,2s,4r,5s,6s,9s,10s,11r,13r,14r,15s,18s,20r)-6-(furan-3-yl)-4,11,15,18-tetrahydroxy-5,10,14-trimethyl-3,8-dioxo-16-oxapentacyclo[12.3.3.0¹,¹³.0²,¹⁰.0⁵,⁹]icosan-20-yl acetate
(1r)-1-{3-[(2s,4'r,9s,9as)-1-hydroxy-2-methyl-3,5'-dioxo-2,9a-dihydrospiro[imidazo[1,2-a]indole-9,2'-oxolan]-4'-yl]-4-oxoquinazolin-2-yl}-2-methylpropyl acetate
C28H28N4O7 (532.1957898000001)
(1ar,3r,3ar,4r,5r,6r,7as)-4,5-bis(acetyloxy)-6-[(1s,6r)-6-(2-methoxy-2-oxoethyl)-1,5,5-trimethyl-4-oxocyclohex-2-en-1-yl]-3a-methyl-7-methylidene-hexahydroindeno[1,7a-b]oxirene-3-carboxylic acid
5,12-bis(acetyloxy)-6-[(acetyloxy)methyl]-2-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
(1r,2r,4r,5s,6s,7s,9s,12r)-4,5,12-tris(acetyloxy)-6-(hydroxymethyl)-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
(2r,3r,4r,5r,6r)-5-{[(2s,3r,4r,5r,6r)-5-{[(2s,3r,4r,5r,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol
(1r,2r,4s,16r,17s,18r,20s)-18-hydroxy-13,20-dimethoxy-4,7,17,22,22-pentamethyl-11-oxo-5,10,21,23-tetraoxahexacyclo[18.2.1.0¹,¹⁷.0⁴,¹⁶.0⁶,¹⁴.0⁸,¹²]tricosa-6,8(12),13-trien-2-yl acetate
7-(acetyloxy)-1-{[3,4-bis(acetyloxy)-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4a-hydroxy-7-methyl-1h,5h,6h,7ah-cyclopenta[c]pyran-5-yl acetate
7,8,12-tris(acetyloxy)-2-hydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-5-yl benzoate
(2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-[3-(hydroxymethyl)-2-(3-methylbut-2-en-1-yl)-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy]oxane-3,4,5-triol
7-methyl-4,18-bis(sec-butyl)-6-oxa-13,20-dithia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1⁵,⁸.1¹²,¹⁵]tetracosa-1(21),2,5(24),9,12(23),14,16,19(22)-octaene-2,9,16-triol
(1r,2s,4r,5s,6r,7r,9s,12s)-4,12-bis(acetyloxy)-6-[(acetyloxy)methyl]-5-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
5,7-dihydroxy-8-(3-hydroxy-3-methylbutyl)-2-(4-methoxyphenyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]chromen-4-one
(1r,2s,4r,5r,8r,9s,11r)-2-({[(1r,3s,5r,7s,8s,9s)-8-(acetyloxy)-9-hydroxy-2,4,6-trioxatricyclo[3.3.1.0³,⁷]nonan-5-yl]oxy}methyl)-9-formyl-13-isopropyl-5-methyltetracyclo[7.4.0.0²,¹¹.0⁴,⁸]tridec-12-ene-1-carboxylic acid
5-(acetyloxy)-12-(furan-2-carbonyloxy)-2,4-dihydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl furan-2-carboxylate
(1r,2r,4s,15s,16s,17r,20s)-2-hydroxy-13,20-dimethoxy-4,7,17,22,22-pentamethyl-11-oxo-5,10,21,23-tetraoxahexacyclo[18.2.1.0¹,¹⁷.0⁴,¹⁶.0⁶,¹⁴.0⁸,¹²]tricosa-6(14),7,12-trien-15-yl acetate
5,12-bis(acetyloxy)-6-[(acetyloxy)methyl]-8-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
(1r,2s,4r,5s,6r,7s,8r,9r)-5,8-bis(acetyloxy)-6-[(acetyloxy)methyl]-4-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
6-(furan-3-yl)-4,11,15,18-tetrahydroxy-5,10,14-trimethyl-3,8-dioxo-16-oxapentacyclo[12.3.3.0¹,¹³.0²,¹⁰.0⁵,⁹]icosan-20-yl acetate
(1r,7ar,9s,11br)-1-(acetyloxy)-9-[(s)-furan-3-yl(hydroxy)methyl]-5,5,7a,9,11b-pentamethyl-3,7-dioxo-hexahydro-1h-spiro[naphtho[2,1-c]oxepine-8,2'-oxirane]-3'-carboxylic acid
(8r,9s,10s)-5-hydroxy-3,4,19-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2,4,6,13,18-hexaen-8-yl (2e)-3-phenylprop-2-enoate
2,9-bis(acetyloxy)-4,8,12,17-tetramethyl-5,16-dioxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]octadeca-6,12-dien-10-yl butanoate
(8s,9s,10s,11r)-8-(acetyloxy)-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-11-yl acetate
(1s,2s,5s,6s,7s,9r,12r)-7,12-bis(acetyloxy)-6-[(acetyloxy)methyl]-2-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-5-yl benzoate
4,12-bis(acetyloxy)-6-[(acetyloxy)methyl]-5-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
2-(hydroxymethyl)-6-[3-(hydroxymethyl)-2-(3-methylbut-2-en-1-yl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy]oxane-3,4,5-triol
(1s,2r,4s,5r,8r,9r,11s)-2-({[(1s,3r,5s,7r,8s,9s)-8-(acetyloxy)-9-hydroxy-2,4,6-trioxatricyclo[3.3.1.0³,⁷]nonan-5-yl]oxy}methyl)-9-formyl-13-isopropyl-5-methyltetracyclo[7.4.0.0²,¹¹.0⁴,⁸]tridec-12-ene-1-carboxylic acid
4,5-bis(acetyloxy)-6-[6-(2-methoxy-2-oxoethyl)-1,5,5-trimethyl-4-oxocyclohex-2-en-1-yl]-3a-methyl-7-methylidene-hexahydroindeno[1,7a-b]oxirene-3-carboxylic acid
[(3s,4r,5s)-5-{[(2r,3r,4s,5r,6r)-2-(benzyloxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-3,4-dihydroxyoxolan-3-yl]methyl (2e)-3-phenylprop-2-enoate
15-(furan-3-yl)-3,10,13,20-tetrahydroxy-2,7,14,20-tetramethyl-5-oxo-6,11,18-trioxahexacyclo[10.8.0.0²,¹⁰.0³,⁷.0¹⁴,¹⁹.0¹⁷,¹⁹]icos-8-en-4-yl acetate
6-(furan-3-yl)-4,12,16,19-tetrahydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0⁸,¹⁰]henicosan-21-yl acetate
(1s,4as,5r,7s,7as)-5-(acetyloxy)-1-{[(2s,3r,4s,5r,6r)-3,4-bis(acetyloxy)-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4a-hydroxy-7-methyl-1h,5h,6h,7ah-cyclopenta[c]pyran-7-yl acetate
(1'r,2's,3r,3'r,4s,5'r,10's,11's,14's)-11'-(furan-3-yl)-3'-hydroxy-5'-(2-hydroxypropan-2-yl)-2',10'-dimethyl-6,13'-dioxo-12',15'-dioxaspiro[oxane-3,6'-tetracyclo[8.5.0.0¹,¹⁴.0²,⁷]pentadecan]-4-yl acetate
(1r,2s,4r,5s,6r,7s,8r,9r)-4,8-bis(acetyloxy)-6-[(acetyloxy)methyl]-5-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
5,7-dihydroxy-8-(3-hydroxy-3-methylbutyl)-2-(4-methoxyphenyl)-3-{[(2s,3s,4s,5r,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-4-one
(3e,4s)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(3-methoxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methylidene]oxolan-2-one
7,12-bis(acetyloxy)-6-[(acetyloxy)methyl]-2-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-5-yl benzoate
(1'r,2s,2's,4's,6'r,7'r,11'r,12's,14's,16'r,20'r,23's,25'r)-12',14',25'-trihydroxy-4,7',22',22'-tetramethyl-3',10',17',21'-tetraoxaspiro[furan-2,9'-heptacyclo[12.11.0.0²,⁴.0²,¹¹.0⁶,¹¹.0¹⁶,²⁰.0¹⁶,²³]pentacosane]-5,18'-dione
(8r,9s,10r,11r)-8-(acetyloxy)-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-11-yl acetate
(2r,3r,4s,5r,6r)-3-{[2-(3,4-dihydroxyphenyl)acetyl]oxy}-5-hydroxy-2-{[(2e)-4-hydroxy-2-methylbut-2-en-1-yl]oxy}-6-(hydroxymethyl)oxan-4-yl 2-phenylacetate
11,13,24-trihydroxy-7,21,21-trimethyl-8-(4-methyl-5-oxo-2h-furan-2-yl)-3,9,16,20-tetraoxaheptacyclo[11.11.0.0²,⁴.0²,¹⁰.0⁶,¹⁰.0¹⁵,¹⁹.0¹⁵,²²]tetracosan-17-one
(3s)-3-(acetyloxy)-3-[(1r,2r,5r,6r,7r,10s,11s,14s)-11-(furan-3-yl)-5-(2-hydroxypropan-2-yl)-2,6,10-trimethyl-3,13-dioxo-12,15-dioxatetracyclo[8.5.0.0¹,¹⁴.0²,⁷]pentadecan-6-yl]propanoic acid
12',14',25'-trihydroxy-4,7',22',22'-tetramethyl-3',10',17',21'-tetraoxaspiro[furan-2,9'-heptacyclo[12.11.0.0²,⁴.0²,¹¹.0⁶,¹¹.0¹⁶,²⁰.0¹⁶,²³]pentacosane]-5,18'-dione
5,12-bis(acetyloxy)-6-[(acetyloxy)methyl]-4-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
2-(3,5-dihydroxyphenyl)-1-[hydroxy(4-hydroxy-3-methoxyphenyl)methyl]-3-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-1h-indene-4,6-diol
8-(acetyloxy)-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-11-yl acetate
(5-{[2-(benzyloxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-3,4-dihydroxyoxolan-3-yl)methyl 3-phenylprop-2-enoate
(1s,2r,4r,5r,6s,8r,10s,11s,12r,14r,15r,16r,19s,21r)-6-(furan-3-yl)-4,12,16,19-tetrahydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0⁸,¹⁰]henicosan-21-yl acetate
1-(3-{1-hydroxy-2-methyl-3,5'-dioxo-2,9a-dihydrospiro[imidazo[1,2-a]indole-9,2'-oxolan]-4'-yl}-4-oxoquinazolin-2-yl)-2-methylpropyl acetate
C28H28N4O7 (532.1957898000001)