Exact Mass: 440.0807

A diterpenoid that is a organic heterohexacyclic compound consisting of lactone and epoxide ring systems. It is isolated from Podocarpus macrophyllus.

ITOPA

N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-[p-[(alpha,alpha,alpha-trifluoro-p-tolyl)oxy]phenyl]acetamide

C20H16ClF3N2O2S (440.0573)

1S,3R-Rsl3

Methyl 2-(2-chloroacetyl)-1-(4-(methoxycarbonyl)phenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate

Delafloxacin

C18H12ClF3N4O4 (440.0499)

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)

[6-(3,5-Dihydroxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoic acid

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

{[7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy}sulphonic acid

Delafloxacin

1-(6-Amino-3,5-difluoropyridin-2-yl)-8-chloro-6-fluoro-7-(3-hydroxyazetidin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

C18H12ClF3N4O4 (440.0499)

5-[4-Phenyl-5-(trifluoromethyl)-2-thienyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

C20H10F6N2OS (440.0418)

Combretastatin

C18H19O8P.2Na (440.0613)

Pongamoside A

2- [ 3- (beta-D-Glucopyranosyloxy) phenyl ] -4H-furo [ 2,3-h ] -1-benzopyran-4-one

FL 120D

(+)-Mitorubrinol acetate

6a,12b-Dihydro-3,10,11,12-tetrahydroxy-6-(3,4,5-trihydroxyphenyl)-[2]benzopyrano[3,4-c]benzopyran-8(6H)-one

6a,12b-Dihydro-3,10,11,12-tetrahydroxy-6- (3,4,5-trihydroxyphenyl) - [ 2 ] benzopyrano [ 3,4-c ] benzopyran-8 (6H) -one

Amurensisin

2-[(2R,3R)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-4,8,9,10-tetrahydroxy-6H-Dibenzo[b,d]pyran-6-one

Quercetagetin 6,3,4-trimethyl ether 3-O-sulfate

3,5,7-Trihydroxy-6,3,4-trimethoxyflavone 3-O-sulfate

Jaceidin 4-O-sulfate

5,7,4-Trihydroxy-3,6,3-trimethoxyflavone 4-O-sulfate

Tembotrione

C17H16ClF3O6S (440.0308)

CONFIDENCE standard compound; INTERNAL_ID 339; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4471; ORIGINAL_PRECURSOR_SCAN_NO 4470 CONFIDENCE standard compound; INTERNAL_ID 339; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4415; ORIGINAL_PRECURSOR_SCAN_NO 4410 CONFIDENCE standard compound; INTERNAL_ID 339; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4505; ORIGINAL_PRECURSOR_SCAN_NO 4504 CONFIDENCE standard compound; INTERNAL_ID 339; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4421; ORIGINAL_PRECURSOR_SCAN_NO 4419 CONFIDENCE standard compound; INTERNAL_ID 339; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4503; ORIGINAL_PRECURSOR_SCAN_NO 4501 CONFIDENCE standard compound; INTERNAL_ID 339; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4477; ORIGINAL_PRECURSOR_SCAN_NO 4476 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3177

8,9-Dimethoxy-2-(2-phenyldiazenyl)-3-(2-thienyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carbonitrile

C25H20N4O2S (440.1307)

(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

(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

sulfatricalysine B

C16H24O12S (440.0988)

3-O-(3,4-dihydroxy-trans-cinnamoyl)-4-O-malonyl-quinic acid

chlorotuberoside

C17H25ClO11 (440.1085)

(+)-mitorubrinol acetate|mitorubrinol acetate

makilalactone O

saliniquinone C

4-O-(E)-caffeoyl-5-O-malonylquinic acid|dihydroxy-5-carboxyacetoxy-4-[(E)-3-(3,4-dihydroxyphenyl)acryloyloxy]cyclohexanecarboxylic acid

3-O-malonyl-5-O-(E)-caffeoylquinic acid|dihydroxy-3-carboxyacetoxy-5-[(E)-3-(3,4-dihydroxyphenyl)acryloyloxy]cyclohexanecarboxylic acid

6-iodoaureol

C21H29IO2 (440.1212)

FL-120D

artemicapin D

SCHEMBL17928282

C18H27Cl3N2O4 (440.1036)

Boletopsin B

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

dihydrodehydrodiconiferyl alcohol 9-O-sulfate

SCHEMBL2120361

Veronicafolin 3-O-sulfate

SCHEMBL11064691

Eupatin 3-O-sulfate

3-O-(6-O-galloyl)-beta-D-glucopyranosylmaltol

epicoccin P

C19H24N2O6S2 (440.1076)

Antibiotic DC 44A

CHEMBL4206592

C27H20O6 (440.126)

8,10-dichloro-3,9-dimethoxy-1,4,7-trimethyl-6-oxo-2-benzo[b][1,4]benzodioxepincarboxylic acid methyl ester

C20H18Cl2O7 (440.043)

SEW2871

5-[4-Phenyl-5-(trifluoromethyl)-2-thienyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

C20H10F6N2OS (440.0418)

D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents > D000081243 - Sphingosine 1 Phosphate Receptor Modulators SEW2871 is an orally active, potent, highly selective S1P1 (sphingosine-1-phosphate type 1 receptor) agonist, with an EC50 of 13.8 nM. SEW2871 activates ERK, Akt, and Rac signaling pathways and induces S1P1 internalization and recycling. SEW2871 reduces lymphocyte numbers in blood. SEW2871 can be used for the research of diabetes, Alzheimer’s disease, liver fibrosis, and inflammatory responses[1][2].

CA 4P

Phenol, 2-methoxy-5-((1Z)-2-(3,4,5-trimethoxyphenyl)ethenyl)-, 1-(dihydrogen phosphate), sodium salt (1:2)

C18H19Na2O8P (440.0613)

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].

Cys Cys Cys Ile

(2S,3S)-2-[(2R)-2-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-methylpentanoic acid

Cys Cys Cys Leu

(2S)-2-[(2R)-2-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-sulfanylpropanamido]-4-methylpentanoic acid

Cys Cys Asp Thr

(2S,3R)-2-[(2S)-2-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-carboxypropanamido]-3-hydroxybutanoic acid

Cys Cys Glu Ser

(4S)-4-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanamido]-4-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}butanoic acid

Cys Cys Ile Cys

(2R)-2-[(2S,3S)-2-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-methylpentanamido]-3-sulfanylpropanoic acid

Cys Cys Leu Cys

(2R)-2-[(2S)-2-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanamido]-4-methylpentanamido]-3-sulfanylpropanoic acid

Cys Cys Ser Glu

(2S)-2-[(2S)-2-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-hydroxypropanamido]pentanedioic acid

Cys Cys Thr Asp

(2S)-2-[(2S,3R)-2-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-hydroxybutanamido]butanedioic acid

Cys Asp Cys Thr

(2S,3R)-2-[(2R)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-carboxypropanamido]-3-sulfanylpropanamido]-3-hydroxybutanoic acid

Cys Asp Thr Cys

(3S)-3-[(2R)-2-amino-3-sulfanylpropanamido]-3-{[(1S,2R)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}propanoic acid

Cys Glu Cys Ser

(4S)-4-[(2R)-2-amino-3-sulfanylpropanamido]-4-{[(1R)-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butanoic acid

Cys Glu Ser Cys

(4S)-4-[(2R)-2-amino-3-sulfanylpropanamido]-4-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}butanoic acid

Cys Gly Met Met

(2S)-2-[(2S)-2-{2-[(2R)-2-amino-3-sulfanylpropanamido]acetamido}-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanoic acid

Cys Ile Cys Cys

(2R)-2-[(2R)-2-[(2S,3S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-methylpentanamido]-3-sulfanylpropanamido]-3-sulfanylpropanoic acid

Cys Leu Cys Cys

(2R)-2-[(2R)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-methylpentanamido]-3-sulfanylpropanamido]-3-sulfanylpropanoic acid

Cys Met Gly Met

(2S)-2-{2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]acetamido}-4-(methylsulfanyl)butanoic acid

Cys Met Met Gly

2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]acetic acid

Cys Ser Cys Glu

(2S)-2-[(2R)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-hydroxypropanamido]-3-sulfanylpropanamido]pentanedioic acid

Cys Ser Glu Cys

(4S)-4-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-hydroxypropanamido]-4-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}butanoic acid

Cys Thr Cys Asp

(2S)-2-[(2R)-2-[(2S,3R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-hydroxybutanamido]-3-sulfanylpropanamido]butanedioic acid

Cys Thr Asp Cys

(3S)-3-[(2S,3R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-hydroxybutanamido]-3-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}propanoic acid

Asp Cys Cys Thr

(2S,3R)-2-[(2R)-2-[(2R)-2-[(2S)-2-amino-3-carboxypropanamido]-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-hydroxybutanoic acid

Asp Cys Thr Cys

(3S)-3-amino-3-{[(1R)-1-{[(1S,2R)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-2-sulfanylethyl]carbamoyl}propanoic acid

Asp Thr Cys Cys

(3S)-3-amino-3-{[(1S,2R)-1-{[(1R)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}propanoic acid

Glu Cys Cys Ser

(4S)-4-amino-4-{[(1R)-1-{[(1R)-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butanoic acid

Glu Cys Ser Cys

(4S)-4-amino-4-{[(1R)-1-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butanoic acid

Glu Ser Cys Cys

(4S)-4-amino-4-{[(1S)-1-{[(1R)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}butanoic acid

Gly Cys Met Met

(2S)-2-[(2S)-2-[(2R)-2-(2-aminoacetamido)-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanoic acid

Gly Met Cys Met

(2S)-2-[(2R)-2-[(2S)-2-(2-aminoacetamido)-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]-4-(methylsulfanyl)butanoic acid

Gly Met Met Cys

(2R)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]-3-sulfanylpropanoic acid

Ile Cys Cys Cys

(2R)-2-[(2R)-2-[(2R)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-sulfanylpropanoic acid

Leu Cys Cys Cys

(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-amino-4-methylpentanamido]-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-sulfanylpropanoic acid

Met Cys Gly Met

(2S)-2-{2-[(2R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]acetamido}-4-(methylsulfanyl)butanoic acid

Met Cys Met Gly

2-[(2S)-2-[(2R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]acetic acid

Met Gly Cys Met

(2S)-2-[(2R)-2-{2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]acetamido}-3-sulfanylpropanamido]-4-(methylsulfanyl)butanoic acid

Met Gly Met Cys

(2R)-2-[(2S)-2-{2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]acetamido}-4-(methylsulfanyl)butanamido]-3-sulfanylpropanoic acid

Met Met Cys Gly

2-[(2R)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]acetic acid

Met Met Gly Cys

(2R)-2-{2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]acetamido}-3-sulfanylpropanoic acid

Ser Cys Cys Glu

(2S)-2-[(2R)-2-[(2R)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-sulfanylpropanamido]-3-sulfanylpropanamido]pentanedioic acid

Ser Cys Glu Cys

(4S)-4-[(2R)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-sulfanylpropanamido]-4-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}butanoic acid

Ser Glu Cys Cys

(4S)-4-[(2S)-2-amino-3-hydroxypropanamido]-4-{[(1R)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butanoic acid

Thr Cys Cys Asp

(2S)-2-[(2R)-2-[(2R)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-sulfanylpropanamido]-3-sulfanylpropanamido]butanedioic acid

Thr Cys Asp Cys

(3S)-3-[(2R)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-sulfanylpropanamido]-3-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}propanoic acid

Thr Asp Cys Cys

(3S)-3-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-{[(1R)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}propanoic acid

LEOIDIN DIMETHYL ETHER

C20H18Cl2O7 (440.043)

(-)-Amurensisin

3,5-Dihydroxyphenyl 1-O-(6-O-galloyl-b-D-glucopyranoside)

[6-(3,5-dihydroxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate

9,10-dibromo-stearic acid

9,10-dibromo-octadecanoic acid

C18H34Br2O2 (440.0925)

b-D-Glucopyranoside, phenyl1-thio-, 2,3,4,6-tetraacetate

(Boc-Cys-OH)2

C16H28N2O8S2 (440.1287)

Zincon monosodium salt

C20H16N4O6S (440.0791)

(4R)-5-(8-azaspiro[4.5]decan-8-yl)-4-[(3,5-dichlorobenzoyl)amino]-5-oxopentanoic acid

C21H26Cl2N2O4 (440.127)

(+)-(18-crown-6)-2,3,11,12-tetracarboxylic acid

C16H24O14 (440.1166)

thiamine thiazolone pyrophosphate

C12H18N4O8P2S (440.0321)

Phenyl 2,3,4,6-Tetra-O-acetyl-1-thio-a-D-mannopyranoside

(S)-(-)-1,1-BINAPHTHYL-2,2-DIAMINE

C24H24O6S (440.1294)

Cefsumide

C17H20N4O6S2 (440.0824)

FLUORESCEIN O O-DIACRYLATE

C26H16O7 (440.0896)

sodium 2-hydroxy-3-[3-[1,3,3,3-tetramethyl-1-[(trimethylsilyl)oxy]disiloxanyl]propoxy]propane-1-sulphonate

C13H33NaO7SSi3 (440.1152)

metamifop

Metamifop [ISO]

C23H18ClFN2O4 (440.0939)

phenyl 2,3,4,6-tetra-o-acetyl-1-thio-beta-d-galactopyranoside

(R)-(+)-1,2-EPOXYPENTADECANE

C24H24O6S (440.1294)

methyl 4-(triphenylphosphonio)crotonate bromide

C23H22BrO2P (440.0541)

(3β)-17-Iodoandrosta-5,16-dien-3-yl acetate

C21H29IO2 (440.1212)

Benzonitrile, 4-[4-[[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl]-1-piperazinyl]-

C22H18Cl2N4O2 (440.0807)

Ravoxertinib

C21H18ClFN6O2 (440.1164)

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.

(-)-(18-CROWN-6)-2 3 11 12-TETRACARBOXY&

C16H24O14 (440.1166)

4-Methylumbelliferylb-D-galactopyranoside-6-sulphatesodiumsalt

C16H17NaO11S (440.0389)

Triphenylbismuth

C18H15Bi (440.0978)

9,10-DIBROMOSTEARIC ACID

9,10-Dibromooctadecanoic acid

C18H34Br2O2 (440.0925)

Zincon

C20H16N4O6S (440.0791)

3-(N-Morpholino)propanesulfonic acid hemisodium salt

C14H29N2NaO8S2 (440.1263)

BIS[BIS(TRIMETHYLSILYL)AMINO]TIN II

C12H36N2Si4Sn (440.0977)

Heptyl(triphenyl)phosphonium bromide

C25H30BrP (440.1268)

Pyritinol dihydrochloride

Pyrithioxin dihydrochloride

C16H22Cl2N2O4S2 (440.0398)

C21H20N4O5S

C21H20N4O5S (440.1154)

Bis(indenyl)dimethylhafnium(IV)

(C9H7)2Hf(CH3)2 (440.1031)

GSK 2018682

4-(4-(5-(5-chloro-6-isopropoxypyridin-3-yl)-1,2,4-oxadiazol-3-yl)-1H-indol-1-yl)butanoic acid

C22H21ClN4O4 (440.1251)

(S)-2-[(4-nitro-phenoxy)-phenoxy-phosphorylamino]propionic acid isopropyl ester

C18H21N2O9P (440.0985)

N-(5-METHYLISOXAZOL-3-YL)-4-(3-(3-(TRIFLUOROMETHYL)PHENYL)UREIDO)BENZENESULFONAMIDE

C18H15F3N4O4S (440.0766)

tributyltin trifluoromethanesulfonate

C13H27F3O3SSn (440.0655)

cerium(4+),2-methoxyethanolate

C12H28CeO8 (440.0839)

(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

C18H13ClF4N6O (440.0775)

1-(2,4-dichlorophenyl)-6-methyl-N-(1-piperidinyl)-4H-indeno[1,2-c]pyrazole-3-carboxamide

C23H22Cl2N4O (440.1171)

1R,3S-Rsl 3

2-Benzofurancarboxylic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester

C25H16N2O4S (440.0831)

2-oxo-N-[2-[(2-phenyl-1H-indol-3-yl)thio]ethyl]-1-benzopyran-3-carboxamide

C26H20N2O3S (440.1195)

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

(2R,3R,4S,5R)-2-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

C17H18Cl2N6O4 (440.0767)

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

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

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

Fosbretabulin disodium

Combretastatin A4 disodium phosphate

C18H19Na2O8P (440.0613)

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].

S-D-mandeloylglutathione

C18H22N3O8S- (440.1128)

3-(2-chlorophenyl)-6-(3-cyclopentyloxy-4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

C22H21ClN4O2S (440.1074)

3-[4-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]benzoic acid

C22H20N2O4S2 (440.0864)

2,6-difluoro-N-[2-[3-[(2-fluorophenyl)methylthio]-1-indolyl]ethyl]benzamide

C24H19F3N2OS (440.117)

2-[6-[(5-Chloro-2-methoxyphenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetic acid ethyl ester

C18H17ClN2O7S (440.0445)

2-(3,5-Dinitrophenyl)-3-(2-phenylethyl)imidazo[4,5-b]quinoxaline

C23H16N6O4 (440.1233)

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

C20H20N6O2S2 (440.1089)

(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

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

C19H20O10S (440.0777)

2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3-(4-hydroxy-3-sulooxyphenyl)propanoic acid

(2-hydroxy-2-{9-[(3-methylbut-2-enoyl)oxy]-2-oxo-2H,8H,9H-furo[2,3-h]chromen-8-yl}propoxy)sulfonic acid

C19H20O10S (440.0777)

(2-{9-hydroxy-2-oxo-2H,8H,9H-furo[2,3-h]chromen-8-yl}-2-[(3-methylbut-2-enoyl)oxy]propoxy)sulfonic acid

C19H20O10S (440.0777)

3,5-Dihydroxyphenyl 1-O-(6-O-galloyl-beta-D-glucopyranoside)

(1R,3S)-2-(2-chloro-1-oxoethyl)-1-(4-methoxycarbonylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid methyl ester

LSM-16753

Dibromostearic acid

C18H34Br2O2 (440.0925)

ST 20:5;O6;S

(E/Z)-ZINC09659342

C23H15F3N2O4 (440.0984)

(E/Z)-ZINC09659342 is an inhibitor of Lbc-RhoA interaction[1].

AZD4747

C24H22ClFN2O3 (440.1303)

AZD4747 is a selective, blood-brain barrier-permeable mutant GTPase KRASG12C inhibitor. AZD4747 has the potential to study cancer[1].

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

(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,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

(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

(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 (440.1085)

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,3r,4r,5r)-3-[(2-carboxyacetyl)oxy]-5-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4-dihydroxycyclohexane-1-carboxylic acid

(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

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

C16H24O12S (440.0988)

(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

(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

C19H24N2O6S2 (440.1076)

(1s,3r,4r,5r)-3-[(2-carboxyacetyl)oxy]-4-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,5-dihydroxycyclohexane-1-carboxylic acid

[(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

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

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,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-(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

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

C18H20N2O7S2 (440.0712)

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

[(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

[4,5-dihydroxy-2-(hydroxymethyl)-6-[(3,4,5-trimethoxyphenyl)methoxy]oxan-3-yl]oxidanesulfonic acid

C16H24O12S (440.0988)

{3,4,5-trihydroxy-6-[(2-methyl-4-oxopyran-3-yl)oxy]oxan-2-yl}methyl 3,4,5-trihydroxybenzoate

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

C19H24N2O6S2 (440.1076)

(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

C18H20N2O7S2 (440.0712)

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

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 (440.1085)

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

jaceidin 4'-o-sulfate

(7s)-3-[(1e)-3-(acetyloxy)prop-1-en-1-yl]-7-methyl-6,8-dioxoisochromen-7-yl 2,4-dihydroxy-6-methylbenzoate

2-(3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)furo[2,3-h]chromen-4-one

(1s,2r,4s,5r,10s,11s,13r,14s,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,2r,4s,5r,10s,11s,13r,14s,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