Exact Mass: 588.1842822

Exact Mass Matches: 588.1842822

Found 122 metabolites which its exact mass value is equals to given mass value 588.1842822, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Etoposide

(10R,11R,15R,16S)-16-{[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-6-yl]oxy}-10-(4-hydroxy-3,5-dimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0^{3,7}.0^{11,15}]hexadeca-1(9),2,7-trien-12-one

C29H32O13 (588.1842822)


Etoposide is a beta-D-glucoside, a furonaphthodioxole and an organic heterotetracyclic compound. It has a role as an antineoplastic agent and a DNA synthesis inhibitor. It is functionally related to a podophyllotoxin and a 4-demethylepipodophyllotoxin. A semisynthetic derivative of podophyllotoxin that exhibits antitumor activity. Etoposide inhibits DNA synthesis by forming a complex with topoisomerase II and DNA. This complex induces breaks in double stranded DNA and prevents repair by topoisomerase II binding. Accumulated breaks in DNA prevent entry into the mitotic phase of cell division, and lead to cell death. Etoposide acts primarily in the G2 and S phases of the cell cycle. Etoposide is a Topoisomerase Inhibitor. The mechanism of action of etoposide is as a Topoisomerase Inhibitor. Etoposide is a natural product found in Aspergillus porosus, Aspergillus alliaceus, and other organisms with data available. Etoposide is a semisynthetic derivative of podophyllotoxin, a substance extracted from the mandrake root Podophyllum peltatum. Possessing potent antineoplastic properties, etoposide binds to and inhibits topoisomerase II and its function in ligating cleaved DNA molecules, resulting in the accumulation of single- or double-strand DNA breaks, the inhibition of DNA replication and transcription, and apoptotic cell death. Etoposide acts primarily in the G2 and S phases of the cell cycle. (NCI04) A semisynthetic derivative of podophyllotoxin that exhibits antitumor activity. Etoposide inhibits DNA synthesis by forming a complex with topoisomerase II and DNA. This complex induces breaks in double stranded DNA and prevents repair by topoisomerase II binding. Accumulated breaks in DNA prevent entry into the mitotic phase of cell division, and lead to cell death. Etoposide acts primarily in the G2 and S phases of the cell cycle. A semisynthetic derivative of PODOPHYLLOTOXIN that exhibits antitumor activity. Etoposide inhibits DNA synthesis by forming a complex with topoisomerase II and DNA. This complex induces breaks in double stranded DNA and prevents repair by topoisomerase II binding. Accumulated breaks in DNA prevent entry into the mitotic phase of cell division, and lead to cell death. Etoposide acts primarily in the G2 and S phases of the cell cycle. See also: Etoposide Phosphate (active moiety of). Etoposide, also known as vepesid or VP-16, belongs to the class of organic compounds known as podophyllotoxins. These are tetralin lignans in which the benzene moiety of the tetralin skeleton is fused to a 1,3-dioxolane and the cyclohexane is fused to a butyrolactone (pyrrolidin-2-one). Etoposide is a drug. Within humans, etoposide participates in a number of enzymatic reactions. In particular, etoposide can be converted into etoposide ortho-quinone; which is mediated by the enzymes prostaglandin g/h synthase 1 and prostaglandin g/h synthase 2. In addition, etoposide and uridine diphosphate glucuronic acid can be converted into etoposide glucuronide and uridine 5-diphosphate; which is mediated by the enzyme UDP-glucuronosyltransferase 1-1. In humans, etoposide is involved in etoposide metabolism pathway. Etoposide is formally rated as a carcinogen (by IARC 1) and is also a potentially toxic compound. Etoposide is used as a form of chemotherapy for cancers such as Kaposis sarcoma, Ewings sarcoma, lung cancer, testicular cancer, lymphoma, nonlymphocytic leukemia, and glioblastoma multiforme. It is given intravenously (IV) or orally in capsule or tablet form. It is believed to work by damaging DNA. Etoposide was approved for medical use in the United States in 1983. They can include low blood cell counts, vomiting, loss of appetite, diarrhea, hair loss, and fever. L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01C - Plant alkaloids and other natural products > L01CB - Podophyllotoxin derivatives C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors C274 - Antineoplastic Agent > C1931 - Antineoplastic Plant Product > C1331 - Epipodophyllotoxin Compound C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C1748 - Topoisomerase Inhibitor COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C1907 - Drug, Natural Product D004791 - Enzyme Inhibitors Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS [Raw Data] CB195_Etoposide_pos_20eV_CB000069.txt [Raw Data] CB195_Etoposide_pos_50eV_CB000069.txt [Raw Data] CB195_Etoposide_pos_10eV_CB000069.txt [Raw Data] CB195_Etoposide_pos_40eV_CB000069.txt [Raw Data] CB195_Etoposide_pos_30eV_CB000069.txt Etoposide (VP-16; VP-16-213) is an anti-cancer chemotherapy agent. Etoposide inhibits topoisomerase II, thus stopping DNA replication. Etoposide induces cell cycle arrest, apoptosis and autophagy[1]. Etoposide (VP-16; VP-16-213) is an anti-cancer chemotherapy agent. Etoposide inhibits topoisomerase II, thus stopping DNA replication. Etoposide induces cell cycle arrest, apoptosis and autophagy[1].

   

Aurasperone E

2,5-dihydroxy-7-{5-hydroxy-6,8-dimethoxy-2-methyl-4-oxo-4H-benzo[g]chromen-10-yl}-6,8-dimethoxy-2-methyl-2H,3H,4H-naphtho[2,3-b]pyran-4-one

C32H28O11 (588.1631538)


Aurasperone E is a mycotoxin produced by Aspergillus fonsecaeus and Aspergillus niger. It is isolated from Aspergillus niger infected mango fruits. Mycotoxin production by Aspergillus fonsecaeus and Aspergillus niger. Isolated from Aspergillus niger infected mango fruits.

   

Antrafenine

2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl 2-{[7-(trifluoromethyl)quinolin-4-yl]amino}benzoate

C30H26F6N4O2 (588.1959848)


Antrafenine is only found in individuals that have used or taken this drug. It is a piperazine derivative drug that acts as an analgesic and anti-inflammatory drug with similar efficacy to naproxen. It is not widely used as it has largely been replaced by newer drugs.Antrafenine is believed to be associated with the inhibition of cyclooxygenase activity. Two unique cyclooxygenases have been described in mammals. The constitutive cyclooxygenase, COX-1, synthesizes prostaglandins necessary for normal gastrointestinal and renal function. The inducible cyclooxygenase, COX-2, generates prostaglandins involved in inflammation. Inhibition of COX-1 is thought to be associated with gastrointestinal and renal toxicity while inhibition of COX-2 provides anti-inflammatory activity. C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent

   

Fonsecinone B

2,5-dihydroxy-10-{5-hydroxy-6,8-dimethoxy-2-methyl-4-oxo-4H-benzo[g]chromen-7-yl}-6,8-dimethoxy-2-methyl-2H,3H,4H-naphtho[2,3-b]pyran-4-one

C32H28O11 (588.1631538)


Fonsecinone B is a mycotoxin produced by Aspergillus fonsecaeus. It is isolated from infected mango fruits. Mycotoxin production by Aspergillus fonsecaeus. Isolated from infected mango fruits.

   

1,1'-(Propane-1,3-diylbis(oxy))bis(7-methoxy-2-methylene-1,2,3,11a-tetrahydro-5H-benzo[e]pyrrolo[1,2-a][1,4]diazepine-5,11(10H)-dione)

13-methoxy-6-[3-({13-methoxy-5-methylidene-2,8-dioxo-3,9-diazatricyclo[8.4.0.0^{3,7}]tetradeca-1(10),11,13-trien-6-yl}oxy)propoxy]-5-methylidene-3,9-diazatricyclo[8.4.0.0^{3,7}]tetradeca-1(10),11,13-triene-2,8-dione

C31H32N4O8 (588.2220032)


   
   
   

Matteuorienate C

7- [ [ 6-O- (4-Carboxy-3-hydroxy-3-methyl-1-oxobutyl) -beta-D-glucopyranosyl ] oxy ] -5-hydroxy-6,8-dimethyl-2-phenyl-4H-1-benzopyran-4-one

C29H32O13 (588.1842822)


   

Dalbin

(2R,6aalpha,12aalpha) -2alpha- [ 1- [ (beta-D-Glucopyranosyloxy) methyl ] ethenyl ] -1,2,12,12a-tetrahydro-6a-hydroxy-8,9-dimethoxy [ 1 ] benzopyrano [ 3,4-b ] furo [ 2,3-h ] [ 1 ] benzopyran-6 (6aH) -one

C29H32O13 (588.1842822)


   
   

Blestrianol B

8-(4-Hydroxybenzyl)-4,5-Dimethoxy-2,2,7,7-tetrahydroxy-9,9,10,10-tetrahydro-[1,3-biphenanthrene]

C37H32O7 (588.2147921999999)


   
   

2,3-di-O-Acetylanthothecanolide

(-)-2,3-di-O-Acetylanthothecanolide

C30H36O12 (588.2206656000001)


   
   
   

3,5-Dihydroxy-4-[3-(4-hydroxyphenyl)propanoyl]phenyl 6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranoside

3,5-Dihydroxy-4-[3-(4-hydroxyphenyl)propanoyl]phenyl 6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranoside

C28H28O14 (588.1478988)


   

1alpha-acetoxy-6beta,9beta-difuroyloxy-2alpha-propyonyloxy-4beta-hydroxy-dihydro-beta-agarofuran

1alpha-acetoxy-6beta,9beta-difuroyloxy-2alpha-propyonyloxy-4beta-hydroxy-dihydro-beta-agarofuran

C30H36O12 (588.2206656000001)


   

14-O-methylacetal-15-O-[6-(p-hydroxyphenylacetyl)]-beta-D-glucopyranosylurospermal A

14-O-methylacetal-15-O-[6-(p-hydroxyphenylacetyl)]-beta-D-glucopyranosylurospermal A

C30H36O12 (588.2206656000001)


   

bis-5,6-dihydro-2(1H)-pyridonyl-trans-trans-trans-2-(3-methoxy-4,5-methylenedioxyphenyl)-4-(3,4-dimethoxyphenyl)-1,3-cyclobutanedicarboxamide|piperarborenine E

bis-5,6-dihydro-2(1H)-pyridonyl-trans-trans-trans-2-(3-methoxy-4,5-methylenedioxyphenyl)-4-(3,4-dimethoxyphenyl)-1,3-cyclobutanedicarboxamide|piperarborenine E

C32H32N2O9 (588.2107702)


   

scabrosin butyrate hexanoate

scabrosin butyrate hexanoate

C28H32N2O8S2 (588.1599992)


   

5,7,10-Triacetoxy-5a-(acetoxymethyl)-6-(benzoyloxy)-3,4,5,5a,6,7,8,9-octahydro-2,2,9-trimethyl-2H-3,9a-methano-1-benzooxepin-4-one

5,7,10-Triacetoxy-5a-(acetoxymethyl)-6-(benzoyloxy)-3,4,5,5a,6,7,8,9-octahydro-2,2,9-trimethyl-2H-3,9a-methano-1-benzooxepin-4-one

C30H36O12 (588.2206656000001)


   
   

8-demethyl-8-L-digitoxosyltetracenomycin C

8-demethyl-8-L-digitoxosyltetracenomycin C

C28H28O14 (588.1478988)


   
   

Flavomannin 1,3,3-trimethyl ether

Flavomannin 1,3,3-trimethyl ether

C33H32O10 (588.1995372)


   

Fonsecinone C

Fonsecinone C

C32H28O11 (588.1631538)


A dimeric naphthopyran with formula C32H28O11, originally isolated from Aspergillus niger.

   

(1R,2S,4R,5S,6R,7R,9S,10S)-9-benzoyloxy-1,2,6,15-tetraacetoxy-8-oxo-dihydro-beta-agarofuran

(1R,2S,4R,5S,6R,7R,9S,10S)-9-benzoyloxy-1,2,6,15-tetraacetoxy-8-oxo-dihydro-beta-agarofuran

C30H36O12 (588.2206656000001)


   
   
   

2-O-E-caffeoyl-8alpha-hydroxy-11alpha,13-dihydro-3beta-O-beta-D-glucozaluzanin C

2-O-E-caffeoyl-8alpha-hydroxy-11alpha,13-dihydro-3beta-O-beta-D-glucozaluzanin C

C30H36O12 (588.2206656000001)


   
   

2alpha-methoxylkhayanolide E|khayseneganin H

2alpha-methoxylkhayanolide E|khayseneganin H

C30H36O12 (588.2206656000001)


   

Benzyl-5-O-methylhiascat

Benzyl-5-O-methylhiascat

C32H28O11 (588.1631538)


   
   
   
   

6-Methoxy-3,4-(methylene(6-methoxyisoquinoline-1,7-diyl)oxy(2-methyl-6,7-(epoxymethanoxy)-1,2,3,4-tetrahydroisoquinoline-8,1-diyl)methylene)(1,1-oxybisbenzene)

6-Methoxy-3,4-(methylene(6-methoxyisoquinoline-1,7-diyl)oxy(2-methyl-6,7-(epoxymethanoxy)-1,2,3,4-tetrahydroisoquinoline-8,1-diyl)methylene)(1,1-oxybisbenzene)

C36H32N2O6 (588.2260252)


   
   

ethyl 5-O-caffeoyl-4-O-sinapoylquinate

ethyl 5-O-caffeoyl-4-O-sinapoylquinate

C29H32O13 (588.1842822)


   
   

(-)-3-O-beta-D-glucopyranosyl 8-[(2S),3-dihydroxy-3-methylbutyl]-7-hydroxychromen-2-one 7-O-beta-D-glucopyranoside|devenyoside C

(-)-3-O-beta-D-glucopyranosyl 8-[(2S),3-dihydroxy-3-methylbutyl]-7-hydroxychromen-2-one 7-O-beta-D-glucopyranoside|devenyoside C

C26H36O15 (588.2054106)


   

7-O-Glucopyranuronosylaklavinone

7-O-Glucopyranuronosylaklavinone

C28H28O14 (588.1478988)


   

ethyl 5-O-caffeoyl-3-O-sinapoylquinate

ethyl 5-O-caffeoyl-3-O-sinapoylquinate

C29H32O13 (588.1842822)


   
   
   

3-O-beta-glucopyranosyl-8-O-beta-(4-hydroxyphenyl)-lactyl-1alphaH,5alphaH,6betaH,7alphaH-guai-3(4),10(14),11(13)-triene-15-methyl-6,12-olide|lapsanoside B

3-O-beta-glucopyranosyl-8-O-beta-(4-hydroxyphenyl)-lactyl-1alphaH,5alphaH,6betaH,7alphaH-guai-3(4),10(14),11(13)-triene-15-methyl-6,12-olide|lapsanoside B

C30H36O12 (588.2206656000001)


   

N, N, N-p-hydroxybenxoyl,caffeoyl, feruloylagmatine

N, N, N-p-hydroxybenxoyl,caffeoyl, feruloylagmatine

C31H32N4O8 (588.2220032)


   

Etoposide

Etoposide aka "(5S,5aR,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one"

C29H32O13 (588.1842822)


Annotation level-1 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.968 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.967 Etoposide (VP-16; VP-16-213) is an anti-cancer chemotherapy agent. Etoposide inhibits topoisomerase II, thus stopping DNA replication. Etoposide induces cell cycle arrest, apoptosis and autophagy[1]. Etoposide (VP-16; VP-16-213) is an anti-cancer chemotherapy agent. Etoposide inhibits topoisomerase II, thus stopping DNA replication. Etoposide induces cell cycle arrest, apoptosis and autophagy[1].

   
   

[(2R,3S,4S,5R,6S)-6-[3,5-dihydroxy-4-[3-(4-hydroxyphenyl)propanoyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate

NCGC00380582-01![(2R,3S,4S,5R,6S)-6-[3,5-dihydroxy-4-[3-(4-hydroxyphenyl)propanoyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate

C28H28O14 (588.1478988)


   

[(2R,3S,4S,5R,6S)-6-[3,5-dihydroxy-4-[3-(4-hydroxyphenyl)propanoyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate

[(2R,3S,4S,5R,6S)-6-[3,5-dihydroxy-4-[3-(4-hydroxyphenyl)propanoyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate

C28H28O14 (588.1478988)


   

Antrafenine

2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl 2-{[7-(trifluoromethyl)quinolin-4-yl]amino}benzoate

C30H26F6N4O2 (588.1959848)


C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent

   

[(2R,3S,4S,5R,6S)-6-[3,5-dihydroxy-4-[3-(4-hydroxyphenyl)propanoyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate [IIN-based: Match]

NCGC00380582-01![(2R,3S,4S,5R,6S)-6-[3,5-dihydroxy-4-[3-(4-hydroxyphenyl)propanoyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate [IIN-based: Match]

C28H28O14 (588.1478988)


   

[(2R,3S,4S,5R,6S)-6-[3,5-dihydroxy-4-[3-(4-hydroxyphenyl)propanoyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate [IIN-based on: CCMSLIB00000849006]

NCGC00380582-01![(2R,3S,4S,5R,6S)-6-[3,5-dihydroxy-4-[3-(4-hydroxyphenyl)propanoyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate [IIN-based on: CCMSLIB00000849006]

C28H28O14 (588.1478988)


   

Asp Glu Tyr Tyr

(4S)-4-[(2S)-2-amino-3-carboxypropanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid

C27H32N4O11 (588.2067482)


   

Asp Tyr Glu Tyr

(4S)-4-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(4-hydroxyphenyl)propanamido]-4-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid

C27H32N4O11 (588.2067482)


   

Asp Tyr Tyr Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]pentanedioic acid

C27H32N4O11 (588.2067482)


   

Glu Asp Tyr Tyr

(4S)-4-amino-4-{[(1S)-2-carboxy-1-{[(1S)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}ethyl]carbamoyl}butanoic acid

C27H32N4O11 (588.2067482)


   

Glu Phe Met Tyr

(4S)-4-amino-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-2-phenylethyl]carbamoyl}butanoic acid

C28H36N4O8S (588.2253736)


   

Glu Phe Tyr Met

(4S)-4-amino-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-phenylethyl]carbamoyl}butanoic acid

C28H36N4O8S (588.2253736)


   

Glu Met Phe Tyr

(4S)-4-amino-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-phenylethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

C28H36N4O8S (588.2253736)


   

Glu Met Tyr Phe

(4S)-4-amino-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

C28H36N4O8S (588.2253736)


   

Glu Tyr Asp Tyr

(4S)-4-amino-4-{[(1S)-1-{[(1S)-2-carboxy-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}ethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid

C27H32N4O11 (588.2067482)


   

Glu Tyr Phe Met

(4S)-4-amino-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}-2-phenylethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid

C28H36N4O8S (588.2253736)


   

Glu Tyr Met Phe

(4S)-4-amino-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid

C28H36N4O8S (588.2253736)


   

Glu Tyr Tyr Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]butanedioic acid

C27H32N4O11 (588.2067482)


   

Phe Glu Met Tyr

(4S)-4-[(2S)-2-amino-3-phenylpropanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

C28H36N4O8S (588.2253736)


   

Phe Glu Tyr Met

(4S)-4-[(2S)-2-amino-3-phenylpropanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid

C28H36N4O8S (588.2253736)


   

Phe Met Glu Tyr

(4S)-4-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-(methylsulfanyl)butanamido]-4-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid

C28H36N4O8S (588.2253736)


   

Phe Met Tyr Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanamido]pentanedioic acid

C28H36N4O8S (588.2253736)


   

Phe Tyr Glu Met

(4S)-4-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]-4-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

C28H36N4O8S (588.2253736)


   

Phe Tyr Met Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]pentanedioic acid

C28H36N4O8S (588.2253736)


   

Met Glu Phe Tyr

(4S)-4-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-phenylethyl]carbamoyl}butanoic acid

C28H36N4O8S (588.2253736)


   

Met Glu Tyr Phe

(4S)-4-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid

C28H36N4O8S (588.2253736)


   

Met Phe Glu Tyr

(4S)-4-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-phenylpropanamido]-4-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid

C28H36N4O8S (588.2253736)


   

Met Phe Tyr Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]pentanedioic acid

C28H36N4O8S (588.2253736)


   

Met Tyr Glu Phe

(4S)-4-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanamido]-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}butanoic acid

C28H36N4O8S (588.2253736)


   

Met Tyr Phe Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]pentanedioic acid

C28H36N4O8S (588.2253736)


   

Tyr Asp Glu Tyr

(4S)-4-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-carboxypropanamido]-4-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid

C27H32N4O11 (588.2067482)


   

Tyr Asp Tyr Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-carboxypropanamido]-3-(4-hydroxyphenyl)propanamido]pentanedioic acid

C27H32N4O11 (588.2067482)


   

Tyr Glu Asp Tyr

(4S)-4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-{[(1S)-2-carboxy-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}ethyl]carbamoyl}butanoic acid

C27H32N4O11 (588.2067482)


   

Tyr Glu Phe Met

(4S)-4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}-2-phenylethyl]carbamoyl}butanoic acid

C28H36N4O8S (588.2253736)


   

Tyr Glu Met Phe

(4S)-4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

C28H36N4O8S (588.2253736)


   

Tyr Glu Tyr Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-carboxybutanamido]-3-(4-hydroxyphenyl)propanamido]butanedioic acid

C27H32N4O11 (588.2067482)


   

Tyr Phe Glu Met

(4S)-4-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]-4-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

C28H36N4O8S (588.2253736)


   

Tyr Phe Met Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]-4-(methylsulfanyl)butanamido]pentanedioic acid

C28H36N4O8S (588.2253736)


   

Tyr Met Glu Phe

(4S)-4-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}butanoic acid

C28H36N4O8S (588.2253736)


   

Tyr Met Phe Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]-3-phenylpropanamido]pentanedioic acid

C28H36N4O8S (588.2253736)


   

Tyr Tyr Asp Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-carboxypropanamido]pentanedioic acid

C27H32N4O11 (588.2067482)


   

Tyr Tyr Glu Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]-4-carboxybutanamido]butanedioic acid

C27H32N4O11 (588.2067482)


   
   

Aurasperone E

2,5-dihydroxy-7-{5-hydroxy-6,8-dimethoxy-2-methyl-4-oxo-4H-benzo[g]chromen-10-yl}-6,8-dimethoxy-2-methyl-2H,3H,4H-naphtho[2,3-b]pyran-4-one

C32H28O11 (588.1631538)


   

Fonsecinone B

2,5-dihydroxy-10-{5-hydroxy-6,8-dimethoxy-2-methyl-4-oxo-4H-benzo[g]chromen-7-yl}-6,8-dimethoxy-2-methyl-2H,3H,4H-naphtho[2,3-b]pyran-4-one

C32H28O11 (588.1631538)


A dimeric naphthopyran with formula C32H28O11, originally isolated from Aspergillus niger.

   
   

(r)-(+)-7,7-bis(diphenylphosphino)-2,2,3,3-tetrahydro-1,1-spirobiindane

(r)-(+)-7,7-bis(diphenylphosphino)-2,2,3,3-tetrahydro-1,1-spirobiindane

C41H34P2 (588.2135624)


   

[3-methyl-4-[4-(3-prop-2-enoyloxypropoxy)benzoyl]oxyphenyl] 4-(3-prop-2-enoyloxypropoxy)benzoate

[3-methyl-4-[4-(3-prop-2-enoyloxypropoxy)benzoyl]oxyphenyl] 4-(3-prop-2-enoyloxypropoxy)benzoate

C33H32O10 (588.1995372)


   

1,3,5-Tris(4-fluorobiphenyl-4-yl)benzene

1,3,5-Tris(4-fluorobiphenyl-4-yl)benzene

C42H27F3 (588.2064737999999)


   

Chloro[(tricyclohexylphosphine)-2-(2-aminobiphenyl)]palladium(II)

Chloro[(tricyclohexylphosphine)-2-(2-aminobiphenyl)]palladium(II)

C30H42ClNPPd+2 (588.1777982000001)


   

(7-diphenylphosphanyl-1,3-spirobi[indane]-4-yl)-diphenyl-phosph ane

(7-diphenylphosphanyl-1,3-spirobi[indane]-4-yl)-diphenyl-phosph ane

C41H34P2 (588.2135624)


   
   

Etoposide Impurity B

Etoposide Impurity B

C29H32O13 (588.1842822)


D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D004791 - Enzyme Inhibitors

   
   

N-[4-({[(6s)-2-Amino-5-Methyl-4-Oxo-1,4,5,6,7,8-Hexahydropteridin-6-Yl]methyl}amino)benzoyl]-L-Gamma-Glutamyl-L-Glutamic Acid

N-[4-({[(6s)-2-Amino-5-Methyl-4-Oxo-1,4,5,6,7,8-Hexahydropteridin-6-Yl]methyl}amino)benzoyl]-L-Gamma-Glutamyl-L-Glutamic Acid

C25H32N8O9 (588.2292142)


   

(2S)-2-[[(2S)-2-[[4-[[(6S)-2-amino-5-methyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid

(2S)-2-[[(2S)-2-[[4-[[(6S)-2-amino-5-methyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid

C25H32N8O9 (588.2292142)


   

(5S,5aR,8aR,9R)-5-[(7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one

(5S,5aR,8aR,9R)-5-[(7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one

C29H32O13 (588.1842822)


D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D004791 - Enzyme Inhibitors

   

(8aR,9R)-9-[4-hydroxy-3,5-bis(methyloxy)phenyl]-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3,4:6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside

(8aR,9R)-9-[4-hydroxy-3,5-bis(methyloxy)phenyl]-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3,4:6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside

C29H32O13 (588.1842822)


   

Wybutosine 5-monophosphate

Wybutosine 5-monophosphate

C21H29N6O12P (588.1581004)


   

2-(4-methoxyphenyl)-N-[2-(4-morpholinyl)-5-(4-morpholinylsulfonyl)phenyl]-4-quinolinecarboxamide

2-(4-methoxyphenyl)-N-[2-(4-morpholinyl)-5-(4-morpholinylsulfonyl)phenyl]-4-quinolinecarboxamide

C31H32N4O6S (588.2042452000001)


   

Triphenylsulfonium 4-hydroxy-1-adamantyloxycarbonyldifluoromethanesulfonate

Triphenylsulfonium 4-hydroxy-1-adamantyloxycarbonyldifluoromethanesulfonate

C30H30F2O6S2 (588.1451784000001)


   

methyl N-(tert-butoxycarbonyl)-3-[2-(2,6-dichlorophenyl)-4-(phenylsulfanyl)-1,2,3,4,4a,8a-hexahydro-6-quinolyl]alaninate

methyl N-(tert-butoxycarbonyl)-3-[2-(2,6-dichlorophenyl)-4-(phenylsulfanyl)-1,2,3,4,4a,8a-hexahydro-6-quinolyl]alaninate

C30H34Cl2N2O4S (588.1616224)


   

(8aR,9R)-5-[(7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5,5a,8a,9-tetrahydrobenzofuro[6,5-f][1,3]benzodioxol-8-one

(8aR,9R)-5-[(7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5,5a,8a,9-tetrahydrobenzofuro[6,5-f][1,3]benzodioxol-8-one

C29H32O13 (588.1842822)


   

N-[(5S,6R,9R)-8-(4-fluorophenyl)sulfonyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-3-isoxazolecarboxamide

N-[(5S,6R,9R)-8-(4-fluorophenyl)sulfonyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-3-isoxazolecarboxamide

C28H33FN4O7S (588.2053880000001)


   

N-[(5S,6R,9R)-8-(3-fluorophenyl)sulfonyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-3-isoxazolecarboxamide

N-[(5S,6R,9R)-8-(3-fluorophenyl)sulfonyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-3-isoxazolecarboxamide

C28H33FN4O7S (588.2053880000001)


   

N-[9-(3-{[2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethyl]amino}-3-oxopropyl)-6-(ethylamino)-2,7-dimethyl-3H-xanthen-3-ylidene]ethanaminium perchlorate

N-[9-(3-{[2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethyl]amino}-3-oxopropyl)-6-(ethylamino)-2,7-dimethyl-3H-xanthen-3-ylidene]ethanaminium perchlorate

C28H33ClN4O8 (588.1986808)


   

(5S,5aS,8aS,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one

(5S,5aS,8aS,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one

C29H32O13 (588.1842822)


   

[5R-[5alpha,5abeta,8aalpha,9beta(R*)]]-9-[(4,6-O-Ethylidene-beta-d-glucopyranosyl)oxy]-5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-furo[3,4:6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one

[5R-[5alpha,5abeta,8aalpha,9beta(R*)]]-9-[(4,6-O-Ethylidene-beta-d-glucopyranosyl)oxy]-5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-furo[3,4:6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one

C29H32O13 (588.1842822)


   

2-[hydroxy-[3-hydroxy-2-[(Z)-16-(81Br)bromanyl-5-hydroxyhexadec-12-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium

2-[hydroxy-[3-hydroxy-2-[(Z)-16-(81Br)bromanyl-5-hydroxyhexadec-12-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium

C24H48BrNO8P+ (588.2300738)


   

2-[hydroxy-[3-hydroxy-2-[(Z)-16-(79Br)bromanyl-5-hydroxyhexadec-12-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium

2-[hydroxy-[3-hydroxy-2-[(Z)-16-(79Br)bromanyl-5-hydroxyhexadec-12-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium

C24H48BrNO8P+ (588.2300738)


   

HTH-02-006

HTH-02-006

C25H29IN6O3 (588.1345794)


HTH-02-006 is a NUAK2 inhibitor (IC50?=?126?nM). HTH-02-006 reduces levels of phosphorylated MYPT1 in HuCCT-1 cells. HTH-02-006 inhibits YAP-driven cell proliferation, hepatomegaly and tumorigenesis. HTH-02-006 also has antifibrotic protective effect[1][2].