Exact Mass: 542.1401324000001

Exact Mass Matches: 542.1401324000001

Found 227 metabolites which its exact mass value is equals to given mass value 542.1401324000001, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Isochamaejasmin

(2S,3R)-3-[(2R,3S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one

C30H22O10 (542.1212912)

Chamaejasmin is a natural product found in Brackenridgea zanguebarica, Stellera chamaejasme, and other organisms with data available. Isochamaejasmin is a biflavonoid that consists of two units of 5,7,4-trihydroxyflavanone joined together at position 3 and 3. It has a role as a plant metabolite. It is a biflavonoid and a hydroxyflavone. Isochamaejasmin is a natural product found in Brackenridgea zanguebarica, Stellera chamaejasme, and Ormocarpum kirkii with data available.

RUGULOSIN

C30H22O10 (542.1212912)

Flocoumafen

4-hydroxy-3-[3-(4-{[4-(trifluoromethyl)phenyl]methoxy}phenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-2H-chromen-2-one

C33H25F3O4 (542.1704846)

D006401 - Hematologic Agents > D000925 - Anticoagulants > D015110 - 4-Hydroxycoumarins

CMP-8-amino-3,8-dideoxy-beta-D-manno-octulosonate

CMP-8-amino-3,8-dideoxy-beta-D-manno-octulosonate; CMP-Kdo8N

C17H27N4O14P (542.1261332)

3,3'-Bisanigorufone

2-hydroxy-3-(2-hydroxy-1-oxo-9-phenyl-1H-phenalen-3-yl)-9-phenyl-1H-phenalen-1-one

C38H22O4 (542.1518012)

3,3-Bisanigorufone is found in fruits. 3,3-Bisanigorufone is a constituent of the rhizomes of Musa acuminata (dwarf banana). Constituent of the rhizomes of Musa acuminata (dwarf banana). 3,3-Bisanigorufone is found in fruits.

Resveratrol 4'-(2-galloylglucoside)

2-{4-[(Z)-2-(3,5-dihydroxyphenyl)ethenyl]phenoxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 3,4,5-trihydroxybenzoic acid

C27H26O12 (542.1424196)

Resveratrol 4-(2-galloylglucoside) is found in green vegetables. Resveratrol 4-(2-galloylglucoside) is isolated from commercial rhubarbs (Rheum species). Isolated from commercial rhubarbs (Rheum subspecies). (E)-Resveratrol 4-(2-galloylglucoside) is found in green vegetables.

Resveratrol 4'-(6-galloylglucoside)

(6-{4-[(Z)-2-(3,5-dihydroxyphenyl)ethenyl]phenoxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3,4,5-trihydroxybenzoic acid

C27H26O12 (542.1424196)

Resveratrol 4-(6-galloylglucoside) is found in green vegetables. Isolated from commercial Japanese rhubarbs (Rheum species) Isol from coml. Japanese rhubarbs (Rheum subspecies). (E)-Resveratrol 4-(6-galloylglucoside) is found in green vegetables.

Yuccaol C

4-[(E)-2-(3,5-dihydroxy-4-methoxyphenyl)ethenyl]-4,6,6-trihydroxy-2-(4-hydroxyphenyl)-2H,2H-3,3-spirobi[[1]benzofuran]-2-one

C30H22O10 (542.1212912)

Yuccaol C is found in fruits. Yuccaol C is a constituent of the bark of Yucca schidigera (Mojave yucca). Constituent of the bark of Yucca schidigera (Mojave yucca). Yuccaol C is found in fruits.

Chamaechromone

3-[1,1-bis(4-hydroxyphenyl)-3-oxo-3-(2,4,6-trihydroxyphenyl)propan-2-yl]-5,7-dihydroxy-4H-chromen-4-one

C30H22O10 (542.1212912)

Chlorowax 40

4,8,11,14,17,21-hexachlorotetracosane

C24H44Cl6 (542.1574004)

Comuside

Methyl 3-ethenyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[2-(3,4,5-trihydroxybenzoyloxy)ethyl]-3,4-dihydro-2H-pyran-5-carboxylic acid

C24H30O14 (542.163548)

Neochamaejasmin A

3-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one

C30H22O10 (542.1212912)

p-MPPI

4-iodo-N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl}-N-(pyridin-2-yl)benzamide

C25H27IN4O2 (542.1178672)

Rhusflavanone

6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-8-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one

C30H22O10 (542.1212912)

comuside

methyl (2R,3S,4R)-3-ethenyl-4-[2-(3,4,5-trihydroxybenzoyl)oxyethyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate

C24H30O14 (542.163548)

Cornuside is a natural product found in Cornus officinalis and Phellodendron amurense with data available. Cornuside is a secoiridoid glucoside isolated from the fruit of Cornus officinalis Sieb. et Zucc., which is a traditional oriental medicine for treating inflammatory diseases and invigorating blood circulation. Cornuside inhibits mast cell-mediated allergic response by down-regulating MAPK and NF-κB signaling pathways. Cornuside has anti-allergic effects in vivo and in vitro which suggests a therapeutic application of this agent in inflammatory allergic diseases[1]. Cornuside is a secoiridoid glucoside isolated from the fruit of Cornus officinalis Sieb. et Zucc., which is a traditional oriental medicine for treating inflammatory diseases and invigorating blood circulation. Cornuside inhibits mast cell-mediated allergic response by down-regulating MAPK and NF-κB signaling pathways. Cornuside has anti-allergic effects in vivo and in vitro which suggests a therapeutic application of this agent in inflammatory allergic diseases[1].

Chamaechromone

3-[1,1-bis(4-hydroxyphenyl)-3-oxo-3-(2,4,6-trihydroxyphenyl)propan-2-yl]-5,7-dihydroxy-4H-chromen-4-one

C30H22O10 (542.1212912)

Chamaechromone is a natural product found in Stellera chamaejasme and Daphne aurantiaca with data available. Chamaechromone is a biflavonoid ingredient isolated from the roots of Stellera chamaejasme L. (Thymelaeaceae). Chamaechromone possesses anti-hepatitis B virus (HBV) effects against the surface antigen of HBV (HBsAg) secretion and has insecticidal activities[1].

Daphnogirin B

C30H22O10 (542.1212912)

genkwanol A

[2R-(2alpha,3beta,8alpha,9alpha)]-3,4-Dihydro-3,4,5,6-tetrahydroxy-2,8-bis(4-hydroxyphenyl)-spiro[benzofuran-2(3H),9(8H)-[2H]furo[2,3-h][1]benzopyran]-3-one

C30H22O10 (542.1212912)

Alvaradoin D

C28H30O11 (542.178803)

Ikarisoside D

3,5,7,4-Tetrahydroxy-8-prenylflavone 3- (4"-acetylrhamnoside)

C28H30O11 (542.178803)

3,4,5-Trihydroxystilbene 4-O-beta-D-(6-O-galloyl)glucopyranoside

C27H26O12 (542.1424196)

Neorhusflavanone

C30H22O10 (542.1212912)

Muraxanthone

(-)-Muraxanthone

C26H22O13 (542.1060362000001)

NSC698798

C30H22O10 (542.1212912)

Semecarpuflavanone

C30H22O10 (542.1212912)

Tetrahydrohinokiflavone

(-)-Tetrahydrohinokiflavone

C30H22O10 (542.1212912)

larixinol

C30H22O10 (542.1212912)

Biflavanone A

C30H22O10 (542.1212912)

2,2-(6,6-Dihydroxybiphenyl-3,3-diyl)bis(5,7-dihydroxychroman-4-one)

C30H22O10 (542.1212912)

Tetrahydrorobustaflavone

C30H22O10 (542.1212912)

Wikstrol A

C30H22O10 (542.1212912)

Tetrahydroamentoflavone

C30H22O10 (542.1212912)

Succedaneaflavanone

C30H22O10 (542.1212912)

Daphnodorin M

(4S,4aR,10aS,12S)-4,4a,13,14-Tetrahydro-4a,6,8-trihydroxy-4,12-bis(4-hydroxyphenyl)-1H,5H,12H-furo[3,4-b:2,3-h]bis[1]benzopyran-1,5-dione

C30H22O10 (542.1212912)

Uredinorubellin I

C30H22O10 (542.1212912)

Daphnodorin N

(4S,4aR,10aS,12R)-4,4a,13,14-Tetrahydro-4a,6,8-trihydroxy-4,12-bis(4-hydroxyphenyl)-1H,5H,12H-furo[3,4-b:2,3-h]bis[1]benzopyran-1,5-dione

C30H22O10 (542.1212912)

GB 1b

C30H22O10 (542.1212912)

AKOS004110682

C24H30O14 (542.163548)

Cornuside

NCGC00380868-01_C24H30O14_Methyl (2S,3R,4S)-2-(beta-D-glucopyranosyloxy)-4-{2-[(3,4,5-trihydroxybenzoyl)oxy]ethyl}-3-vinyl-3,4-dihydro-2H-pyran-5-carboxylate

C24H30O14 (542.163548)

Cornuside is a secoiridoid glucoside isolated from the fruit of Cornus officinalis Sieb. et Zucc., which is a traditional oriental medicine for treating inflammatory diseases and invigorating blood circulation. Cornuside inhibits mast cell-mediated allergic response by down-regulating MAPK and NF-κB signaling pathways. Cornuside has anti-allergic effects in vivo and in vitro which suggests a therapeutic application of this agent in inflammatory allergic diseases[1]. Cornuside is a secoiridoid glucoside isolated from the fruit of Cornus officinalis Sieb. et Zucc., which is a traditional oriental medicine for treating inflammatory diseases and invigorating blood circulation. Cornuside inhibits mast cell-mediated allergic response by down-regulating MAPK and NF-κB signaling pathways. Cornuside has anti-allergic effects in vivo and in vitro which suggests a therapeutic application of this agent in inflammatory allergic diseases[1].

lissoclibadin 5

C24H34N2O4S4 (542.1401324000001)

Bruceantarin

methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-3-benzoyloxy-10,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate

C28H30O11 (542.178803)

Bruceantarin is a natural product found in Brucea javanica with data available.

abiesanol A

C30H22O10 (542.1212912)

ST077076

C24H30O14 (542.163548)

NSC698799

C30H22O10 (542.1212912)

Acetylramosin C

C24H30O14 (542.163548)

C28H30O11

C28H30O11 (542.178803)

(E)-resveratrol 3-(6-galloyl)-O-beta-D-glucopyranoside

C27H26O12 (542.1424196)

Daphnodorin B

Methanone, (3,4-dihydro-3,5-dihydroxy-2,8-bis(4-hydroxyphenyl)-2H-furo(2,3-h)-l-benzopyran-9-yl)(2,4,6-trihydroxyphenyl)-, trans-(-)-

C30H22O10 (542.1212912)

Daphnodorin B is a natural product found in Stellera chamaejasme, Daphne genkwa, and other organisms with data available.

C30H22O10

C30H22O10 (542.1212912)

rubellin B

C30H22O10 (542.1212912)

Hyperidixanthone

C30H22O10 (542.1212912)

A natural product found in Hypericum chinense.

Physalin K

C28H30O11 (542.178803)

Rhodoaphin-be

C30H22O10 (542.1212912)

Penta-Ac-3,3,4,5,8-Pentahydroxy-7-methoxyflavone

C26H22O13 (542.1060362000001)

5,6-O-beta-D-diglucopyranosylangelicin

C23H26O15 (542.1271646)

haploperoside B

C24H30O14 (542.163548)

justicidinoside C

C27H26O12 (542.1424196)

Rubellin D

C30H22O10 (542.1212912)

4-(4-O-beta-D-glucopyranosylphenoxy)-1-O-beta-glucopyranosyl-1,3-benzenediol

C24H30O14 (542.163548)

masazinoflavanone

C30H22O10 (542.1212912)

Piceid-2-O-gallate

C27H26O12 (542.1424196)

C24H30O14

C24H30O14 (542.163548)

connorstictic acid tetra-acetate|tetraacetylconnorstictic acid

C26H22O13 (542.1060362000001)

(5aS,17S,20S)-1,7,9,15,17,20-Hexahydroxy-3,11-dimethyl-6H,14H-6c,13ac,5ar,14c-butan-1,2,3,4-tetrayl-cycloocta[1,2-b;5,6-b]dinaphthalin-5,8,13,16-tetraon|(5aS,17S,20S)-1,7,9,15,17,20-hexahydroxy-3,11-dimethyl-6H,14H-6c,13ac,5ar,14c-butane-1,2,3,4-tetrayl-cycloocta[1,2-b;5,6-b]dinaphthalene-5,8,13,16-tetraone

(5aS,17S,20S)-1,7,9,15,17,20-Hexahydroxy-3,11-dimethyl-6H,14H-6c,13ac,5ar,14c-butan-1,2,3,4-tetrayl-cycloocta[1,2-b;5,6-b]dinaphthalin-5,8,13,16-tetraon|(5aS,17S,20S)-1,7,9,15,17,20-hexahydroxy-3,11-dimethyl-6H,14H-6c,13ac,5ar,14c-butane-1,2,3,4-tetrayl-cycloocta[1,2-b;5,6-b]dinaphthalene-5,8,13,16-tetraone

C30H22O10 (542.1212912)

symplocomoside

C27H26O12 (542.1424196)

2,3,2,3-Tetrahydroochnaflavone

2,3,2",3"-Tetrahydroochnaflavone

C30H22O10 (542.1212912)

MEGxp0_001509

C30H22O10 (542.1212912)

linobiflavonoid

C30H22O10 (542.1212912)

Cleiastanthin B

C27H26O12 (542.1424196)

foliamangiferoside A1

C27H26O12 (542.1424196)

mappiodoside F

C27H30N2O10 (542.190036)

yunnaneic acid I

C27H26O12 (542.1424196)

MCULE-9151163351

C27H30N2O10 (542.190036)

Dauroside C

C24H30O14 (542.163548)

2,2,3,3-Tetrahydrohinokiflavone

C30H22O10 (542.1212912)

SCHEMBL18812440

C27H26O12 (542.1424196)

5-O-[beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl]-8-hydroxybergaptol

C23H26O15 (542.1271646)

Icterinoidin A

C30H22O10 (542.1212912)

2-O-coumaroyl-(S)-aloesinol

C28H30O11 (542.178803)

5,6-O-??-D-Diglucopyranosylangelicin

C23H26O15 (542.1271646)

Penta-Ac-3,3,4,5,7-Pentahydroxy-8-methoxyflavone

C26H22O13 (542.1060362000001)

gasabiimine

C34H26N2O5 (542.1841626)

NSC339191

C30H22O10 (542.1212912)

CHEMBL66266

C30H22O10 (542.1212912)

3-O-p-hydroxybenzoylmangiferin

C26H22O13 (542.1060362000001)

Chamaejasmine

(2R,3S)-3-[(2R,3S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one

C30H22O10 (542.1212912)

Chamaejasmine is a natural product found in Enkleia siamensis, Stellera chamaejasme, and Enkleia malaccensis with data available.

Amentoflavanone

4H-1-Benzopyran-4-one, 8-[5-(3,4-dihydro-5,7-dihydroxy-4-oxo-2H-1-benzopyran-2-yl)-2-hydroxyphenyl]-2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)- [S-(R*,R*)]-

C30H22O10 (542.1212912)

Tetrahydroamentoflavone is a natural product found in Cycas beddomei, Schinus terebinthifolia, and other organisms with data available.

Neochamaejasmin B

(2S,3S)-3-[(2R,3S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one

C30H22O10 (542.1212912)

Neochamaejasmin B is a natural product found in Stellera chamaejasme and Daphne feddei with data available.

Isoneochamaejasmin A

(2S,3S)-3-[(2R,3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one

C30H22O10 (542.1212912)

clei B

4-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-9-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-1H-benzo[f]isobenzofuran-3-one

C27H26O12 (542.1424196)

Cleistanthin B is a member of the class of cleistanthins that is cleistanthin A in which the 3,4-di-O-methyl-D-xylopyranosyl group is replaced by a beta-D-glucopyranosyl group. It has a role as an antihypertensive agent, an alpha-adrenergic antagonist and a diuretic. It is a member of cleistanthins, a beta-D-glucoside and a monosaccharide derivative. Cleistanthin B is a natural product found in Haplophyllum cappadocicum, Cleistanthus collinus, and other organisms with data available. A member of the class of cleistanthins that is cleistanthin A in which the 3,4-di-O-methyl-D-xylopyranosyl group is replaced by a beta-D-glucopyranosyl group.

6-methoxy-2-oxo-2H-chromen-7-yl 2-O-acetyl-6-O-(6-deoxyhexopyranosyl)hexopyranoside

C24H30O14 (542.163548)

relative retention time with respect to 9-anthracene Carboxylic Acid is 0.739 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.740 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.735

3-[1,1-bis(4-hydroxyphenyl)-3-oxo-3-(2,4,6-trihydroxyphenyl)propan-2-yl]-5,7-dihydroxychromen-4-one

NCGC00385136-01!3-[1,1-bis(4-hydroxyphenyl)-3-oxo-3-(2,4,6-trihydroxyphenyl)propan-2-yl]-5,7-dihydroxychromen-4-one

C30H22O10 (542.1212912)

5-hydroxy-2-(4-hydroxyphenyl)-7-[[(2R,3S)-3,5,8-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-yl]oxy]chromen-4-one

NCGC00380474-01!5-hydroxy-2-(4-hydroxyphenyl)-7-[[(2R,3S)-3,5,8-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-yl]oxy]chromen-4-one

C30H22O10 (542.1212912)

(2R)-8-[(2R,3S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one

NCGC00169705-02!(2R)-8-[(2R,3S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one

C30H22O10 (542.1212912)

[(2S,3R,4S,5R,6R)-3,5-dihydroxy-2-(6-methoxy-2-oxochromen-7-yl)oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-4-yl] acetate

NCGC00384725-01![(2S,3R,4S,5R,6R)-3,5-dihydroxy-2-(6-methoxy-2-oxochromen-7-yl)oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-4-yl] acetate

C24H30O14 (542.163548)

[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-(6-methoxy-2-oxochromen-7-yl)oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl] acetate

NCGC00384726-01![(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-(6-methoxy-2-oxochromen-7-yl)oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl] acetate

C24H30O14 (542.163548)

3-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one

NCGC00180625-03!3-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one

C30H22O10 (542.1212912)

(2S)-6-[(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-8-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one

NCGC00385250-01!(2S)-6-[(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-8-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one

C30H22O10 (542.1212912)

3-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one

NCGC00180625-02!3-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one

C30H22O10 (542.1212912)

(3S,4R)-3-[(3S,4R)-5,7-dihydroxy-4-(4-hydroxyphenyl)-2-oxo-3,4-dihydrochromen-3-yl]-5,7-dihydroxy-4-(4-hydroxyphenyl)-3,4-dihydrochromen-2-one

NCGC00179829-02!(3S,4R)-3-[(3S,4R)-5,7-dihydroxy-4-(4-hydroxyphenyl)-2-oxo-3,4-dihydrochromen-3-yl]-5,7-dihydroxy-4-(4-hydroxyphenyl)-3,4-dihydrochromen-2-one

C30H22O10 (542.1212912)

C27H30N2O10

NCGC00385982-01_C27H30N2O10_

C27H30N2O10 (542.190036)

C24H30O14_2H-Pyran-4-acetic acid, 5-carboxy-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-3-(2-hydroxyethylidene)-, alpha-[2-(3,4-dihydroxyphenyl)ethyl] ester, (2S,3Z,4S)

NCGC00384520-01_C24H30O14_2H-Pyran-4-acetic acid, 5-carboxy-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-3-(2-hydroxyethylidene)-, alpha-[2-(3,4-dihydroxyphenyl)ethyl] ester, (2S,3Z,4S)-

C24H30O14 (542.163548)

(2R)-8-[(2R,3S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one

C30H22O10 (542.1212912)

methyl (2S,3R,4S)-3-ethenyl-4-[2-(3,4,5-trihydroxybenzoyl)oxyethyl]-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate

C24H30O14 (542.163548)

(2S)-6-[(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-8-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one

C30H22O10 (542.1212912)

(3S,4R)-3-[(3S,4R)-5,7-dihydroxy-4-(4-hydroxyphenyl)-2-oxo-3,4-dihydrochromen-3-yl]-5,7-dihydroxy-4-(4-hydroxyphenyl)-3,4-dihydrochromen-2-one

C30H22O10 (542.1212912)

3-[1,1-bis(4-hydroxyphenyl)-3-oxo-3-(2,4,6-trihydroxyphenyl)propan-2-yl]-5,7-dihydroxychromen-4-one

C30H22O10 (542.1212912)

Radicalisin

C30H22O10 (542.1212912)

CONFIDENCE isolated standard

Selaginpulvilin Q

C35H26O6 (542.1729296000001)

Binaringenin

C30H22O10 (542.1212912)

[(2S,3R,4S,5R,6R)-3,5-dihydroxy-2-(6-methoxy-2-oxochromen-7-yl)oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-4-yl] acetate [IIN-based: Match]

NCGC00384725-01![(2S,3R,4S,5R,6R)-3,5-dihydroxy-2-(6-methoxy-2-oxochromen-7-yl)oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-4-yl] acetate [IIN-based: Match]

C24H30O14 (542.163548)

(2R)-8-[(2R,3S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one [IIN-based: Match]

NCGC00169705-02!(2R)-8-[(2R,3S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one [IIN-based: Match]

C30H22O10 (542.1212912)

N6-Aristololactam-I-deoxyadenosine

C27H22N6O7 (542.1549901999999)

Cys Glu Glu Tyr

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

C22H30N4O10S (542.168256)

Cys Glu Tyr Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-carboxybutanamido]-3-(4-hydroxyphenyl)propanamido]pentanedioic acid

C22H30N4O10S (542.168256)

Cys Tyr Glu Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-4-carboxybutanamido]pentanedioic acid

C22H30N4O10S (542.168256)

Asp Asp Met Tyr

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

C22H30N4O10S (542.168256)

Asp Asp Tyr Met

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

C22H30N4O10S (542.168256)

Asp Phe Met Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-phenylpropanamido]-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanoic acid

C23H34N4O7S2 (542.1868814000001)

Asp Met Asp Tyr

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

C22H30N4O10S (542.168256)

Asp Met Phe Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-4-(methylsulfanyl)butanamido]-3-phenylpropanamido]-4-(methylsulfanyl)butanoic acid

C23H34N4O7S2 (542.1868814000001)

Asp Met Met Phe

(3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}propanoic acid

C23H34N4O7S2 (542.1868814000001)

Asp Met Tyr Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanamido]butanedioic acid

C22H30N4O10S (542.168256)

Asp Tyr Asp Met

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

C22H30N4O10S (542.168256)

Asp Tyr Met Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]butanedioic acid

C22H30N4O10S (542.168256)

Glu Cys Glu Tyr

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

C22H30N4O10S (542.168256)

Glu Cys Tyr Glu

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-4-carboxybutanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]pentanedioic acid

C22H30N4O10S (542.168256)

Glu Glu Cys Tyr

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

C22H30N4O10S (542.168256)

Glu Glu Tyr Cys

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

C22H30N4O10S (542.168256)

Glu Tyr Cys Glu

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]pentanedioic acid

C22H30N4O10S (542.168256)

Glu Tyr Glu Cys

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

C22H30N4O10S (542.168256)

Phe Asp Met Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-carboxypropanamido]-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanoic acid

C23H34N4O7S2 (542.1868814000001)

Phe Met Asp Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-(methylsulfanyl)butanamido]-3-carboxypropanamido]-4-(methylsulfanyl)butanoic acid

C23H34N4O7S2 (542.1868814000001)

Phe Met Met Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]butanedioic acid

C23H34N4O7S2 (542.1868814000001)

Met Asp Asp Tyr

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

C22H30N4O10S (542.168256)

Met Asp Phe Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-carboxypropanamido]-3-phenylpropanamido]-4-(methylsulfanyl)butanoic acid

C23H34N4O7S2 (542.1868814000001)

Met Asp Met Phe

(3S)-3-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-{[(1S)-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}propanoic acid

C23H34N4O7S2 (542.1868814000001)

Met Asp Tyr Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-carboxypropanamido]-3-(4-hydroxyphenyl)propanamido]butanedioic acid

C22H30N4O10S (542.168256)

Met Phe Asp Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-phenylpropanamido]-3-carboxypropanamido]-4-(methylsulfanyl)butanoic acid

C23H34N4O7S2 (542.1868814000001)

Met Phe Met Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-phenylpropanamido]-4-(methylsulfanyl)butanamido]butanedioic acid

C23H34N4O7S2 (542.1868814000001)

Met Met Asp Phe

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

C23H34N4O7S2 (542.1868814000001)

Met Met Phe Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]-3-phenylpropanamido]butanedioic acid

C23H34N4O7S2 (542.1868814000001)

Met Met Met Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanoic acid

C20H38N4O5S4 (542.1724938)

Met Tyr Asp Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanamido]-3-carboxypropanamido]butanedioic acid

C22H30N4O10S (542.168256)

Tyr Cys Glu Glu

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]-4-carboxybutanamido]pentanedioic acid

C22H30N4O10S (542.168256)

Tyr Asp Asp Met

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

C22H30N4O10S (542.168256)

Tyr Asp Met Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-carboxypropanamido]-4-(methylsulfanyl)butanamido]butanedioic acid

C22H30N4O10S (542.168256)

Tyr Glu Cys Glu

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-carboxybutanamido]-3-sulfanylpropanamido]pentanedioic acid

C22H30N4O10S (542.168256)

Tyr Glu Glu Cys

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

C22H30N4O10S (542.168256)

Tyr Met Asp Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]-3-carboxypropanamido]butanedioic acid

C22H30N4O10S (542.168256)

Resveratrol 4'-(6-galloylglucoside)

(6-{4-[(Z)-2-(3,5-dihydroxyphenyl)ethenyl]phenoxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3,4,5-trihydroxybenzoate

C27H26O12 (542.1424196)

Yuccaol C

4-[(E)-2-(3,5-dihydroxy-4-methoxyphenyl)ethenyl]-4,6,6-trihydroxy-2-(4-hydroxyphenyl)-2H,2H-3,3-spirobi[[1]benzofuran]-2-one

C30H22O10 (542.1212912)

Resveratrol 4'-(2-galloylglucoside)

2-{4-[(Z)-2-(3,5-dihydroxyphenyl)ethenyl]phenoxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 3,4,5-trihydroxybenzoate

C27H26O12 (542.1424196)

3,3'-Bisanigorufone

2,2'-Dihydroxy-9,9'-diphenyl-[3,3'-bi-1H-phenalene]-1,1'-dione, 9CI

C38H22O4 (542.1518012)

Haploperoside C

C24H30O14 (542.163548)

(S,S)-N-BENZYL-3,4-TRANS-DIMESOLATEPYRROLIDINE

C25H25F3O6S2 (542.1044586)

ethyl 5-(4-(4-(5-cyano-1H-indol-3-yl)butyl)piperazin-1-yl)benzofuran-2-carboxylate (dihydrochloride)

C28H32Cl2N4O3 (542.1851342)

Lithium borate

B8Li10O24 (542.1124500000001)

iron(+2) cation

C21H18FeN12O3++ (542.0974147999999)

2,9-diphenylanthra[2,1,9-def:6,5,10-def]diisoquinoline-1,3,8,10(2H,9H)-tetrone

C36H18N2O4 (542.1266508)

2-BROMO-4-(3-(PYRIDIN-2-YL)-1-TRITYL-1H-PYRAZOL-4-YL)PYRIDINE

C32H23BrN4 (542.1105978)

(R)-(+)-2,2-Bis(di-2-furanylphosphino)-6,6-dimethoxy-1,1-biphenyl,min.

C30H24O6P2 (542.1048064)

p-MPPI

4-IODO-N-[2-[4-(METHOXYPHENYL)-1-PIPERAZINYL]ETHYL]-N-2-PYRIDINYL-BENZAMIDE HYDROCHLORIDE

C25H27IN4O2 (542.1178672)

D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists

aluminium triphenolate

C32H19AlN8 (542.1548004)

Disodium 4-dodecyl-2,4-oxydibenzenesulfonate

C24H32Na2O7S2 (542.1384762)

aristolactam I

7-(Deoxyadenosin-N(6)-yl)aristolactam I

C27H22N6O7 (542.1549901999999)

Resveratrol-4-O-(6'-galloyl)-b-d-glucopyranoside

Resveratrol-4-O-(6"-galloyl)-b-d-glucopyranoside

C27H26O12 (542.1424196)

Rhodamine 6G perchlorate

C28H31ClN2O7 (542.1819686)

Fmoc-Aph(Hor)-OH

C29H26N4O7 (542.1801406)

(R,R)-N-Benzyl-3,4-trans-(N-Boc)-diaminopyrrolidine

C18H30N4O15 (542.170759)

Elismetrep

C27H21F3N2O5S (542.1123212)

C78272 - Agent Affecting Nervous System

5-Iminodoxorubicin

C27H30N2O10 (542.190036)

Cereclor

C24H44Cl6 (542.1574004)

4-[(E)-2-(3,5-dihydroxy-4-methoxyphenyl)ethenyl]-4,6,6-trihydroxy-2-(4-hydroxyphenyl)spiro[1-benzofuran-3,3-2H-1-benzofuran]-2-one

C30H22O10 (542.1212912)

dTDP-alpha-D-forosamine(1-)

C18H30N3O12P2- (542.1304660000001)

A nucleotide-sugar oxoanion arising from deprotonation of the diphosphate OH groups and protonation of the amino group of dTDP-alpha-D-forosamine; major species at pH 7.3.

dTDP-(2R,4S,6S)-4-amino-2,4-dimethyloxan-3-one

C17H26N3O13P2- (542.0940826)

dTDP-(2S,4S,6S)-4-amino-2,4-dimethyloxan-3-one

C17H26N3O13P2- (542.0940826)

CMP-8-amino-3,8-dideoxy-alpha-D-manno-oct-2-ulosonic acid

C17H27N4O14P (542.1261332)

A CMP-sugar having 8-amino-3,8-dideoxy-alpha-D-manno-oct-2-ulosonic acid as the sugar component.

Dimeric rubrofusarin

C30H22O10 (542.1212912)

dTDP-3-N-methylamino-4-oxo-2,3,6-trideoxy-alpha-D-glucose

C17H26N3O13P2- (542.0940826)

(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[[4-(1,3-oxazol-5-yl)pyridin-1-ium-1-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

C22H20N7O6S2+ (542.0916440000001)

5-O-[(S)-{[(S)-{[(2R,3R,4S)-3,4-Dihydroxypyrrolidin-2-YL]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine

C15H24N6O12P2 (542.0927404)

COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

2-(4-Morpholinyl)-5-[[oxo-[2-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]-3-furanyl]methyl]amino]benzoic acid methyl ester

C25H20F6N2O5 (542.1276342)

1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-fluorophenoxy)methyl]-N-[(E)-[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]triazole-4-carboxamide

C27H23FN8O4 (542.1826209999999)

estriol 16-O-(3-sulfo-beta-D-glucuronide)(2-)

C24H30O12S-2 (542.14579)

testosterone 17-O-(3-sulfo-beta-D-glucuronate)

C25H34O11S-2 (542.1821734)

estriol 3-O-(3-sulfo-beta-D-glucuronide)(2-)

C24H30O12S-2 (542.14579)

dehydroepiandrosterone 3-O-(3-sulfo-beta-D-glucuronide)(2-)

C25H34O11S-2 (542.1821734)

estriol 17-O-(3-sulfo-beta-D-glucuronide)(2-)

C24H30O12S-2 (542.14579)

4-methoxyphenyl 3-O-(3-O-sulfo-beta-D-glucopyranuronosyl)-beta-D-galactopyranoside

C19H26O16S (542.0941516)

Rhusflavone

C30H22O10 (542.1212912)

[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-(6-methoxy-2-oxochromen-7-yl)oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl] acetate

C24H30O14 (542.163548)

[(2S,3R,4S,5R,6R)-3,5-dihydroxy-2-(6-methoxy-2-oxochromen-7-yl)oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-4-yl] acetate

C24H30O14 (542.163548)

Benzene-1,2,4,5-tetracarboxylic acid tetra(trimethylsilyl) ester

C22H38O8Si4 (542.1643667999999)

5-hydroxy-2-(4-hydroxyphenyl)-7-[[(2R,3S)-3,5,8-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-yl]oxy]chromen-4-one

C30H22O10 (542.1212912)

Isochamaejasmin

(2S,3R)-3-[(2R,3S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one

C30H22O10 (542.1212912)

Isochamaejasmin is a biflavonoid that consists of two units of 5,7,4-trihydroxyflavanone joined together at position 3 and 3. It has a role as a plant metabolite. It is a biflavonoid and a hydroxyflavone. Isochamaejasmin is a natural product found in Brackenridgea zanguebarica, Stellera chamaejasme, and Ormocarpum kirkii with data available. A biflavonoid that consists of two units of 5,7,4-trihydroxyflavanone joined together at position 3 and 3.

Flocoumafen

C33H25F3O4 (542.1704846)

D006401 - Hematologic Agents > D000925 - Anticoagulants > D015110 - 4-Hydroxycoumarins

3,3-Bisanigorufone

C38H22O4 (542.1518012)

Resveratrol 4-(6-galloylglucoside)

C27H26O12 (542.1424196)

Resveratrol 4-(2-galloylglucoside)

C27H26O12 (542.1424196)

[(2R,3R,4S)-3,4-dihydroxypyrrolidin-2-yl]methyl-ADP

C15H24N6O12P2 (542.0927404)

LPI 12:3;O2

C21H35O14P (542.176434)

dTpdT

C22H31N4O10P (542.1777715999999)

ST 18:4;O8;GlcA

C24H30O14 (542.163548)

ST 25:5;O8;S

C25H34O11S (542.1821734)

Plixorafenib

C25H21F3N6O3S (542.1347872)

PLX8394 is a potent and selective BRaf inhibitor, with an IC50 of appr 5 nM for BRAFV600E.

5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2r,3s)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-8-yl]chromen-4-one

C30H22O10 (542.1212912)

(1r,5r,13r)-1,9,17,19-tetrahydroxy-5,13-bis(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.8.0.0²,¹¹.0³,⁸.0¹⁵,²⁰]henicosa-2,8,10,15,17,19-hexaen-21-one

C30H22O10 (542.1212912)

(1r,2r,4s,5r,7r,11r,12s,15s,18s,19r,20s,21s,23r,26s)-4,15-dihydroxy-11,18,21-trimethyl-6,17,24,28,29-pentaoxanonacyclo[17.9.1.1¹,²⁰.0²,¹².0⁵,⁷.0⁵,¹¹.0¹⁵,¹⁹.0¹⁸,²³.0²¹,²⁶]triacont-8-ene-10,16,25,30-tetrone

(1r,2r,4s,5r,7r,11r,12s,15s,18s,19r,20s,21s,23r,26s)-4,15-dihydroxy-11,18,21-trimethyl-6,17,24,28,29-pentaoxanonacyclo[17.9.1.1¹,²⁰.0²,¹².0⁵,⁷.0⁵,¹¹.0¹⁵,¹⁹.0¹⁸,²³.0²¹,²⁶]triacont-8-ene-10,16,25,30-tetrone

C28H30O11 (542.178803)

2-[(11s,12r)-8,11-dihydroxy-4,12-bis(4-hydroxyphenyl)-5,13-dioxatricyclo[7.4.0.0²,⁶]trideca-1,3,6,8-tetraene-3-carbonyl]benzene-1,3,5-triol

C30H22O10 (542.1212912)

(2r,3r,4r,5s,6s)-3,5-dihydroxy-2-(hydroxymethyl)-6-(1,3,6,7-tetrahydroxy-9-oxoxanthen-2-yl)oxan-4-yl 4-hydroxybenzoate

C26H22O13 (542.1060362000001)

1,9,17,19-tetrahydroxy-5,13-bis(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.8.0.0²,¹¹.0³,⁸.0¹⁵,²⁰]henicosa-2,8,10,15,17,19-hexaen-21-one

C30H22O10 (542.1212912)

(2s,4's,12'r)-4,6,8',11'-tetrahydroxy-4',12'-bis(4-hydroxyphenyl)-5',13'-dioxaspiro[1-benzofuran-2,3'-tricyclo[7.4.0.0²,⁶]tridecane]-1'(9'),2'(6'),7'-trien-3-one

C30H22O10 (542.1212912)

(2s)-6-[(2s)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydro-1-benzopyran-8-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzopyran-4-one

C30H22O10 (542.1212912)

(1s,4s,12s,13r)-13,16,18-trihydroxy-4,12-bis(4-hydroxyphenyl)-3,11,21-trioxapentacyclo[11.8.0.0¹,¹⁰.0²,⁷.0¹⁵,²⁰]henicosa-2(7),9,15,17,19-pentaene-8,14-dione

C30H22O10 (542.1212912)

(1s,17r,20r,29s)-5,9,12,20,21,24,29-heptahydroxy-26-methylheptacyclo[15.12.0.0¹,²¹.0³,¹⁶.0⁶,¹⁵.0⁸,¹³.0²³,²⁸]nonacosa-3,5,8,10,12,15,18,23,25,27-decaene-7,14,22-trione

C30H22O10 (542.1212912)

methyl (1r,2s,3r,6r,8s,12s,13s,14r,15r,16s,17s)-3-(benzoyloxy)-12,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.0¹,⁶.0²,¹⁷.0⁸,¹³]nonadec-9-ene-17-carboxylate

C28H30O11 (542.178803)

(2s,4's,11's,12'r)-4,6,8',11'-tetrahydroxy-4',12'-bis(4-hydroxyphenyl)-5',13'-dioxaspiro[1-benzofuran-2,3'-tricyclo[7.4.0.0²,⁶]tridecane]-1'(9'),2'(6'),7'-trien-3-one

C30H22O10 (542.1212912)

methyl (1r,2s,3r,6r,8r,13s,14r,15r,16s)-3-(benzoyloxy)-10,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.0¹,⁶.0²,¹⁷.0⁸,¹³]nonadec-9-ene-17-carboxylate

C28H30O11 (542.178803)

5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-8-yl]chromen-4-one

C30H22O10 (542.1212912)

5,9,12,20,21,24,29-heptahydroxy-26-methylheptacyclo[15.12.0.0¹,²¹.0³,¹⁶.0⁶,¹⁵.0⁸,¹³.0²³,²⁸]nonacosa-3,5,8,10,12,15,18,23,25,27-decaene-7,14,22-trione

C30H22O10 (542.1212912)

4,5-dihydroxy-2-[(6-methoxy-2-oxochromen-7-yl)oxy]-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-3-yl acetate

C24H30O14 (542.163548)

(2s,3r,4r,5s,6s)-6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-en-1-yl)-4-oxochromen-3-yl]oxy}-4,5-dihydroxy-2-methyloxan-3-yl acetate

C28H30O11 (542.178803)

(7r,9r,10r,18r,20r,21r)-10,16,21,25-tetrahydroxy-7,9,18,20-tetramethyl-8,11,19,22-tetraoxanonacyclo[15.11.1.1⁶,²⁶.0²,¹⁵.0³,¹².0⁴,²⁷.0⁵,¹⁰.0²¹,²⁹.0²³,²⁸]triaconta-1(29),2(15),3,5,12,16,23,25,27-nonaene-14,30-dione

(7r,9r,10r,18r,20r,21r)-10,16,21,25-tetrahydroxy-7,9,18,20-tetramethyl-8,11,19,22-tetraoxanonacyclo[15.11.1.1⁶,²⁶.0²,¹⁵.0³,¹².0⁴,²⁷.0⁵,¹⁰.0²¹,²⁹.0²³,²⁸]triaconta-1(29),2(15),3,5,12,16,23,25,27-nonaene-14,30-dione

C30H22O10 (542.1212912)