Exact Mass: 452.1184

Exact Mass Matches: 452.1184

Found 144 metabolites which its exact mass value is equals to given mass value 452.1184, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Cinchonain Ib

(2R) -2alpha,10beta-Bis (3,4-dihydroxyphenyl) -3alpha,5-dihydroxy-3,4,9,10-tetrahydro-2H,8H-benzo [ 1,2-b:3,4-b ] dipyran-8-one

C24H20O9 (452.1107)


   

6,12-bis(3,4-dihydroxyphenyl)-8,13-dihydroxy-3,11-dioxatricyclo[8.4.0.0(2),]tetradeca-1(10),2(7),8-trien-4-one

6,12-bis(3,4-dihydroxyphenyl)-8,13-dihydroxy-3,11-dioxatricyclo[8.4.0.0(2),]tetradeca-1(10),2(7),8-trien-4-one

C24H20O9 (452.1107)


   

Viniferifuran

5-[6-hydroxy-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-1-benzofuran-3-yl]benzene-1,3-diol

C28H20O6 (452.126)


Viniferifuran is found in alcoholic beverages. Viniferifuran is isolated from Riesling wine. Viniferifuran is a constituent of wine grapes (Vitis vinifera Kyohou) and amur grape (Vitis amurensis). Isolated from Riesling wine. Constituent of wine grapes (Vitis vinifera Kyohou) and amur grape (Vitis amurensis). Viniferifuran is found in alcoholic beverages and fruits.

   

(-)-Epigallocatechin 3-p-coumaroate

(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl (2E)-3-(4-hydroxyphenyl)prop-2-enoate

C24H20O9 (452.1107)


(-)-Epigallocatechin 3-p-coumaroate is found in tea. (-)-Epigallocatechin 3-p-coumaroate is isolated from leaves of green tea (Thea sinensis). Isolated from leaves of green tea (Thea sinensis). Epigallocatechin 3-p-coumarate is found in tea.

   

Lumacaftor

3-{6-[1-(2,2-difluoro-2H-1,3-benzodioxol-5-yl)cyclopropaneamido]-3-methylpyridin-2-yl}benzoic acid

C24H18F2N2O5 (452.1184)


C87006 - Pharmacological Chaperone

   

Nüzhendic acid

2-[3-(carboxymethyl)-3-hydroxy-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydropyran-4-yl]acetic acid

C17H24O14 (452.1166)


   

Anigopreissin A

Anigopreissin A

C28H20O6 (452.126)


   
   
   

Betulifol A

Betulifol A

C28H20O6 (452.126)


   

Laurentiquinone C

Laurentiquinone C

C24H20O9 (452.1107)


   
   

Cinchonain Id

Cinchonain Id

C24H20O9 (452.1107)


   

Foramsulfuron

Foramsulfuron

C17H20N6O7S (452.1114)


CONFIDENCE standard compound; EAWAG_UCHEM_ID 2778

   

vitisinol A

vitisinol A

C28H20O6 (452.126)


   

laetevirenol A

laetevirenol A

C28H20O6 (452.126)


   

4-methoxy-3,5,7-trihydroxy-8-(1-(3,4,5-trihydroxyphenyl)ethyl)flavone

4-methoxy-3,5,7-trihydroxy-8-(1-(3,4,5-trihydroxyphenyl)ethyl)flavone

C24H20O9 (452.1107)


   

3-methoxy-5-demethoxycadensin G

3-methoxy-5-demethoxycadensin G

C24H20O9 (452.1107)


   

roxburghiol A

roxburghiol A

C28H20O6 (452.126)


   

vitisinol G

vitisinol G

C28H20O6 (452.126)


   

SCHEMBL14805569

SCHEMBL14805569

C24H20O9 (452.1107)


   

Nuezhenidic acid

Nuezhenidic acid

C17H24O14 (452.1166)


   

Flavomentin D

Flavomentin D

C24H20O9 (452.1107)


   

Cys Cys Met Pro

(2S)-1-[(2S)-2-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanamido]-4-(methylsulfanyl)butanoyl]pyrrolidine-2-carboxylic acid

C16H28N4O5S3 (452.1222)


   

Cys Cys Asn Asn

(2S)-2-[(2S)-2-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-carbamoylpropanamido]-3-carbamoylpropanoic acid

C14H24N6O7S2 (452.1148)


   

Cys Cys Pro Met

(2S)-2-{[(2S)-1-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanoyl]pyrrolidin-2-yl]formamido}-4-(methylsulfanyl)butanoic acid

C16H28N4O5S3 (452.1222)


   

Cys Asp Asp Thr

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

C15H24N4O10S (452.1213)


   

Cys Asp Glu Ser

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

C15H24N4O10S (452.1213)


   

Cys Asp Ser Glu

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

C15H24N4O10S (452.1213)


   

Cys Asp Thr Asp

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

C15H24N4O10S (452.1213)


   

Cys Glu Asp Ser

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

C15H24N4O10S (452.1213)


   

Cys Glu Ser Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-carboxybutanamido]-3-hydroxypropanamido]butanedioic acid

C15H24N4O10S (452.1213)


   

Cys Met Cys Pro

(2S)-1-[(2R)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid

C16H28N4O5S3 (452.1222)


   

Cys Met Pro Cys

(2R)-2-{[(2S)-1-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-(methylsulfanyl)butanoyl]pyrrolidin-2-yl]formamido}-3-sulfanylpropanoic acid

C16H28N4O5S3 (452.1222)


   

Cys Asn Cys Asn

(2S)-2-[(2R)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-carbamoylpropanamido]-3-sulfanylpropanamido]-3-carbamoylpropanoic acid

C14H24N6O7S2 (452.1148)


   

Cys Asn Asn Cys

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

C14H24N6O7S2 (452.1148)


   

Cys Pro Cys Met

(2S)-2-[(2R)-2-{[(2S)-1-[(2R)-2-amino-3-sulfanylpropanoyl]pyrrolidin-2-yl]formamido}-3-sulfanylpropanamido]-4-(methylsulfanyl)butanoic acid

C16H28N4O5S3 (452.1222)


   

Cys Pro Met Cys

(2R)-2-[(2S)-2-{[(2S)-1-[(2R)-2-amino-3-sulfanylpropanoyl]pyrrolidin-2-yl]formamido}-4-(methylsulfanyl)butanamido]-3-sulfanylpropanoic acid

C16H28N4O5S3 (452.1222)


   

Cys Ser Asp Glu

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

C15H24N4O10S (452.1213)


   

Cys Ser Glu Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-hydroxypropanamido]-4-carboxybutanamido]butanedioic acid

C15H24N4O10S (452.1213)


   

Cys Thr Asp Asp

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

C15H24N4O10S (452.1213)


   

Asp Cys Asp Thr

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

C15H24N4O10S (452.1213)


   

Asp Cys Glu Ser

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

C15H24N4O10S (452.1213)


   

Asp Cys Ser Glu

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

C15H24N4O10S (452.1213)


   

Asp Cys Thr Asp

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

C15H24N4O10S (452.1213)


   

Asp Asp Cys Thr

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

C15H24N4O10S (452.1213)


   

Asp Asp Thr Cys

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

C15H24N4O10S (452.1213)


   

Asp Glu Cys Ser

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

C15H24N4O10S (452.1213)


   

Asp Glu Ser Cys

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

C15H24N4O10S (452.1213)


   

Asp Ser Cys Glu

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

C15H24N4O10S (452.1213)


   

Asp Ser Glu Cys

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

C15H24N4O10S (452.1213)


   

Asp Thr Cys Asp

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

C15H24N4O10S (452.1213)


   

Asp Thr Asp Cys

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

C15H24N4O10S (452.1213)


   

Glu Cys Asp Ser

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

C15H24N4O10S (452.1213)


   

Glu Cys Ser Asp

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-4-carboxybutanamido]-3-sulfanylpropanamido]-3-hydroxypropanamido]butanedioic acid

C15H24N4O10S (452.1213)


   

Glu Asp Cys Ser

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

C15H24N4O10S (452.1213)


   

Glu Asp Ser Cys

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

C15H24N4O10S (452.1213)


   

Glu Ser Cys Asp

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-hydroxypropanamido]-3-sulfanylpropanamido]butanedioic acid

C15H24N4O10S (452.1213)


   

Glu Ser Asp Cys

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

C15H24N4O10S (452.1213)


   

Met Cys Cys Pro

(2S)-1-[(2R)-2-[(2R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid

C16H28N4O5S3 (452.1222)


   

Met Cys Pro Cys

(2R)-2-{[(2S)-1-[(2R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-sulfanylpropanoyl]pyrrolidin-2-yl]formamido}-3-sulfanylpropanoic acid

C16H28N4O5S3 (452.1222)


   

Met Pro Cys Cys

(2R)-2-[(2R)-2-{[(2S)-1-[(2S)-2-amino-4-(methylsulfanyl)butanoyl]pyrrolidin-2-yl]formamido}-3-sulfanylpropanamido]-3-sulfanylpropanoic acid

C16H28N4O5S3 (452.1222)


   

Asn Cys Cys Asn

(2S)-2-[(2R)-2-[(2R)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-carbamoylpropanoic acid

C14H24N6O7S2 (452.1148)


   

Asn Cys Asn Cys

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

C14H24N6O7S2 (452.1148)


   

Asn Asn Cys Cys

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

C14H24N6O7S2 (452.1148)


   

Pro Cys Cys Met

(2S)-4-(methylsulfanyl)-2-[(2R)-2-[(2R)-2-[(2S)-pyrrolidin-2-ylformamido]-3-sulfanylpropanamido]-3-sulfanylpropanamido]butanoic acid

C16H28N4O5S3 (452.1222)


   

Pro Cys Met Cys

(2R)-2-[(2S)-4-(methylsulfanyl)-2-[(2R)-2-[(2S)-pyrrolidin-2-ylformamido]-3-sulfanylpropanamido]butanamido]-3-sulfanylpropanoic acid

C16H28N4O5S3 (452.1222)


   

Pro Met Cys Cys

(2R)-2-[(2R)-2-[(2S)-4-(methylsulfanyl)-2-[(2S)-pyrrolidin-2-ylformamido]butanamido]-3-sulfanylpropanamido]-3-sulfanylpropanoic acid

C16H28N4O5S3 (452.1222)


   

Ser Cys Asp Glu

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

C15H24N4O10S (452.1213)


   

Ser Cys Glu Asp

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-sulfanylpropanamido]-4-carboxybutanamido]butanedioic acid

C15H24N4O10S (452.1213)


   

Ser Asp Cys Glu

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

C15H24N4O10S (452.1213)


   

Ser Asp Glu Cys

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

C15H24N4O10S (452.1213)


   

Ser Glu Cys Asp

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-4-carboxybutanamido]-3-sulfanylpropanamido]butanedioic acid

C15H24N4O10S (452.1213)


   

Ser Glu Asp Cys

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

C15H24N4O10S (452.1213)


   

Thr Cys Asp Asp

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

C15H24N4O10S (452.1213)


   

Thr Asp Cys Asp

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

C15H24N4O10S (452.1213)


   

Thr Asp Asp Cys

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

C15H24N4O10S (452.1213)


   

9,10-Dihydro-10-(3,4-dihydroxyphenyl)-pyrano[2,3-h]catechin-8-one

9,10-Dihydro-10-(3,4-dihydroxyphenyl)-pyrano[2,3-h]catechin-8-one

C24H20O9 (452.1107)


   

Cinchonain Ic

Cinchonain Ic

C24H20O9 (452.1107)


   

Epigallocatechin 3-O-p-coumarate

Epigallocatechin 3-O-p-coumarate

C24H20O9 (452.1107)


   

Amurensin H

5-[6-hydroxy-2-(4-hydroxyphenyl)-4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-1-benzofuran-3-yl]benzene-1,3-diol

C28H20O6 (452.126)


   
   

Amyltriethylammonium Bis(trifluoromethanesulfonyl)imide

Amyltriethylammonium Bis(trifluoromethanesulfonyl)imide

C13H26F6N2O4S2 (452.1238)


   

2-[[1,3-dimethyl-7-(4-methylphenyl)-2,4-dioxo-5-pyrimido[4,5-d]pyrimidinyl]thio]-N-(5-methyl-3-isoxazolyl)acetamide

2-[[1,3-dimethyl-7-(4-methylphenyl)-2,4-dioxo-5-pyrimido[4,5-d]pyrimidinyl]thio]-N-(5-methyl-3-isoxazolyl)acetamide

C21H20N6O4S (452.1267)


   

Lumacaftor

VX-809(Lumacaftor)

C24H18F2N2O5 (452.1184)


C87006 - Pharmacological Chaperone

   

N-[1-[(4-chlorophenyl)methyl]-5-methyl-3-pyrazolyl]-5-(3,4-dimethoxyphenyl)-3-isoxazolecarboxamide

N-[1-[(4-chlorophenyl)methyl]-5-methyl-3-pyrazolyl]-5-(3,4-dimethoxyphenyl)-3-isoxazolecarboxamide

C23H21ClN4O4 (452.1251)


   

N-[1-[(4-chlorophenyl)methyl]-5-methyl-3-pyrazolyl]-5-(2,5-dimethoxyphenyl)-3-isoxazolecarboxamide

N-[1-[(4-chlorophenyl)methyl]-5-methyl-3-pyrazolyl]-5-(2,5-dimethoxyphenyl)-3-isoxazolecarboxamide

C23H21ClN4O4 (452.1251)


   

N-[2,6-bis(4-morpholinyl)-4-pyrimidinyl]-3,4-dichlorobenzohydrazide

N-[2,6-bis(4-morpholinyl)-4-pyrimidinyl]-3,4-dichlorobenzohydrazide

C19H22Cl2N6O3 (452.113)


   

N-[2,6-bis(4-morpholinyl)-4-pyrimidinyl]-2,4-dichlorobenzohydrazide

N-[2,6-bis(4-morpholinyl)-4-pyrimidinyl]-2,4-dichlorobenzohydrazide

C19H22Cl2N6O3 (452.113)


   

2-[4-Chloro-2-[3-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetic acid methyl ester

2-[4-Chloro-2-[3-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetic acid methyl ester

C24H21ClN2O5 (452.1139)


   

2-{[(4-{[2-(4-Chloro-2-methylphenoxy)propanoyl]amino}phenyl)carbonyl]amino}benzoic acid

2-{[(4-{[2-(4-Chloro-2-methylphenoxy)propanoyl]amino}phenyl)carbonyl]amino}benzoic acid

C24H21ClN2O5 (452.1139)


   

Xanthonolignoid A B676297K281

Xanthonolignoid A B676297K281

C24H20O9 (452.1107)


   

Viniferifuran

Viniferifuran

C28H20O6 (452.126)


   

Cinchonain 1a

Cinchonain 1a

C24H20O9 (452.1107)


   
   

Glutaminase-IN-3

Glutaminase-IN-3

C19H19F3N6O2S (452.1242)


Glutaminase-IN-3 (compound 657) is a potent glutaminase inhibitor with an IC50 of 0.24 μM for Glutaminase 1 (GLS1). Glutaminase-IN-3 is extracted from patent WO2014089048A1, compound 657[1].

   

Methiothepin (mesylate)

Methiothepin (mesylate)

C21H28N2O3S3 (452.1262)


Methiothepin (Metitepine) mesylate is a potent and non-selective 5-HT2 receptor antagonist, with pKds of 7.10 (5-HT1A), 7.28 (5HT1B), 7.56 (5HT1C), 6.99 (5HT1D), 7.0 (5-HT5A), 7.8 (5-HT5B), 8.74 (5-HT6), and 8.99 (5-HT7), and pKis of 8.50 (5HT2A), 8.68 (5HT2B), and 8.35 (5HT2C).

   

4,14-bis(3,4-dihydroxyphenyl)-5,8-dihydroxy-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),2(7),8-trien-12-one

4,14-bis(3,4-dihydroxyphenyl)-5,8-dihydroxy-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),2(7),8-trien-12-one

C24H20O9 (452.1107)


   

(2s,3s)-9-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-(hydroxymethyl)-12-methoxy-2,3-dihydro-1,4,5-trioxatetraphen-10-one

(2s,3s)-9-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-(hydroxymethyl)-12-methoxy-2,3-dihydro-1,4,5-trioxatetraphen-10-one

C24H20O9 (452.1107)


   

(1r,16r)-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.0²,⁷.0¹⁴,¹⁷]heptadeca-2,4,6,8,10,12,14(17)-heptaene-4,6,12-triol

(1r,16r)-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.0²,⁷.0¹⁴,¹⁷]heptadeca-2,4,6,8,10,12,14(17)-heptaene-4,6,12-triol

C28H20O6 (452.126)


   

(2r,3r)-9-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1,4,5-trioxatetraphen-10-one

(2r,3r)-9-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1,4,5-trioxatetraphen-10-one

C24H20O9 (452.1107)


   

[(2s,3s,4r)-4-(carboxymethyl)-3-hydroxy-5-(methoxycarbonyl)-2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,4-dihydropyran-3-yl]acetic acid

[(2s,3s,4r)-4-(carboxymethyl)-3-hydroxy-5-(methoxycarbonyl)-2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,4-dihydropyran-3-yl]acetic acid

C17H24O14 (452.1166)


   

(4R,8R,9R)-4,8-bis(3,4-dihydroxyphenyl)-5,9-dihydroxy-4,8,9,10-tetrahydro-3H-pyrano[6,5-h]chromen-2-one

NA

C24H20O9 (452.1107)


{"Ingredient_id": "HBIN010873","Ingredient_name": "(4R,8R,9R)-4,8-bis(3,4-dihydroxyphenyl)-5,9-dihydroxy-4,8,9,10-tetrahydro-3H-pyrano[6,5-h]chromen-2-one","Alias": "NA","Ingredient_formula": "C24H20O9","Ingredient_Smile": "NA","Ingredient_weight": "452.41","OB_score": "58.1634287","CAS_id": "85081-22-7","SymMap_id": "SMIT13323","TCMID_id": "NA","TCMSP_id": "MOL012579","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

5-[6-hydroxy-2-(4-hydroxyphenyl)-4-[(1e)-2-(4-hydroxyphenyl)ethenyl]-1-benzofuran-3-yl]benzene-1,3-diol

5-[6-hydroxy-2-(4-hydroxyphenyl)-4-[(1e)-2-(4-hydroxyphenyl)ethenyl]-1-benzofuran-3-yl]benzene-1,3-diol

C28H20O6 (452.126)


   

(1r,2r,4as,5s,5's,8as)-5-(chloromethyl)-5'-(furan-3-yl)-5-hydroxy-2-methyl-2',4,6-trioxo-tetrahydro-2h-spiro[naphthalene-1,3'-oxolan]-4a-ylmethyl acetate

(1r,2r,4as,5s,5's,8as)-5-(chloromethyl)-5'-(furan-3-yl)-5-hydroxy-2-methyl-2',4,6-trioxo-tetrahydro-2h-spiro[naphthalene-1,3'-oxolan]-4a-ylmethyl acetate

C22H25ClO8 (452.1238)


   

3-hydroxy-9-{[(2s,3r)-6-hydroxy-2-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-yl]oxy}-10-methoxybenzo[c]chromen-6-one

3-hydroxy-9-{[(2s,3r)-6-hydroxy-2-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-yl]oxy}-10-methoxybenzo[c]chromen-6-one

C24H20O9 (452.1107)


   

6,12-bis(3,4-dihydroxyphenyl)-8,13-dihydroxy-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1,7,9-trien-4-one

6,12-bis(3,4-dihydroxyphenyl)-8,13-dihydroxy-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1,7,9-trien-4-one

C24H20O9 (452.1107)


   

(4r,5s,14s)-4,14-bis(3,4-dihydroxyphenyl)-5,8-dihydroxy-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),2(7),8-trien-12-one

(4r,5s,14s)-4,14-bis(3,4-dihydroxyphenyl)-5,8-dihydroxy-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),2(7),8-trien-12-one

C24H20O9 (452.1107)


   

3,11-bis(4-hydroxyphenyl)-4,12-dioxapentacyclo[8.6.1.1²,⁵.0¹³,¹⁷.0⁹,¹⁸]octadeca-1(17),5(18),6,8,13,15-hexaene-7,15-diol

3,11-bis(4-hydroxyphenyl)-4,12-dioxapentacyclo[8.6.1.1²,⁵.0¹³,¹⁷.0⁹,¹⁸]octadeca-1(17),5(18),6,8,13,15-hexaene-7,15-diol

C28H20O6 (452.126)


   

(2r,3r)-12-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4,5-trioxatetraphen-10-one

(2r,3r)-12-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4,5-trioxatetraphen-10-one

C24H20O9 (452.1107)


   

5-(chloromethyl)-5'-(furan-3-yl)-5-hydroxy-2-methyl-2',4,6-trioxo-tetrahydro-2h-spiro[naphthalene-1,3'-oxolan]-4a-ylmethyl acetate

5-(chloromethyl)-5'-(furan-3-yl)-5-hydroxy-2-methyl-2',4,6-trioxo-tetrahydro-2h-spiro[naphthalene-1,3'-oxolan]-4a-ylmethyl acetate

C22H25ClO8 (452.1238)


   

12-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4,5-trioxatetraphen-10-one

12-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4,5-trioxatetraphen-10-one

C24H20O9 (452.1107)


   

(4s,5s)-5-(3,5-dihydroxyphenyl)-4-(4-hydroxyphenyl)-4,5-dihydroacephenanthrylene-1,3,9-triol

(4s,5s)-5-(3,5-dihydroxyphenyl)-4-(4-hydroxyphenyl)-4,5-dihydroacephenanthrylene-1,3,9-triol

C28H20O6 (452.126)


   

(6s,12r,13s)-6,12-bis(3,4-dihydroxyphenyl)-8,13-dihydroxy-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1,7,9-trien-4-one

(6s,12r,13s)-6,12-bis(3,4-dihydroxyphenyl)-8,13-dihydroxy-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1,7,9-trien-4-one

C24H20O9 (452.1107)


   

(1r,2r,4as,5s,8as)-5-(chloromethyl)-5'-(furan-3-yl)-5-hydroxy-2-methyl-2',4,6-trioxo-tetrahydro-2h-spiro[naphthalene-1,3'-oxolan]-4a-ylmethyl acetate

(1r,2r,4as,5s,8as)-5-(chloromethyl)-5'-(furan-3-yl)-5-hydroxy-2-methyl-2',4,6-trioxo-tetrahydro-2h-spiro[naphthalene-1,3'-oxolan]-4a-ylmethyl acetate

C22H25ClO8 (452.1238)


   

9-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-(hydroxymethyl)-12-methoxy-2,3-dihydro-1,4,5-trioxatetraphen-10-one

9-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-(hydroxymethyl)-12-methoxy-2,3-dihydro-1,4,5-trioxatetraphen-10-one

C24H20O9 (452.1107)


   

5-[4-hydroxy-2-(4-hydroxyphenyl)-6-[(1e)-2-(4-hydroxyphenyl)ethenyl]-1-benzofuran-3-yl]benzene-1,3-diol

5-[4-hydroxy-2-(4-hydroxyphenyl)-6-[(1e)-2-(4-hydroxyphenyl)ethenyl]-1-benzofuran-3-yl]benzene-1,3-diol

C28H20O6 (452.126)


   

(6r,7s,9r,10s)-7,9-bis(4-hydroxyphenyl)-8,18-dioxapentacyclo[13.2.1.0⁵,¹⁷.0⁶,¹⁰.0¹¹,¹⁶]octadeca-1(17),2,4,11,13,15-hexaene-3,13-diol

(6r,7s,9r,10s)-7,9-bis(4-hydroxyphenyl)-8,18-dioxapentacyclo[13.2.1.0⁵,¹⁷.0⁶,¹⁰.0¹¹,¹⁶]octadeca-1(17),2,4,11,13,15-hexaene-3,13-diol

C28H20O6 (452.126)


   

4-hydroxy-2,5-bis(4-hydroxyphenyl)-3,6-dioxocyclohexa-1,4-dien-1-yl 4,5-dihydroxyhex-2-enoate

4-hydroxy-2,5-bis(4-hydroxyphenyl)-3,6-dioxocyclohexa-1,4-dien-1-yl 4,5-dihydroxyhex-2-enoate

C24H20O9 (452.1107)


   

(6r,12r,13r)-6,12-bis(3,4-dihydroxyphenyl)-8,13-dihydroxy-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1,7,9-trien-4-one

(6r,12r,13r)-6,12-bis(3,4-dihydroxyphenyl)-8,13-dihydroxy-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1,7,9-trien-4-one

C24H20O9 (452.1107)


   

(2s,3s)-12-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4,5-trioxatetraphen-10-one

(2s,3s)-12-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4,5-trioxatetraphen-10-one

C24H20O9 (452.1107)


   

(2r,3r)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3-yl 3-(4-hydroxyphenyl)prop-2-enoate

(2r,3r)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3-yl 3-(4-hydroxyphenyl)prop-2-enoate

C24H20O9 (452.1107)


   

ethyl (2z)-3-(3,4-dihydroxyphenyl)-2-{6-[(1e)-2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxy-2-oxopyran-3-yl}prop-2-enoate

ethyl (2z)-3-(3,4-dihydroxyphenyl)-2-{6-[(1e)-2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxy-2-oxopyran-3-yl}prop-2-enoate

C24H20O9 (452.1107)


   

methyl 9-[(acetyloxy)methyl]-5,7-dihydroxy-2,2-dimethyl-6,11-dioxo-1-oxatetracene-8-carboxylate

methyl 9-[(acetyloxy)methyl]-5,7-dihydroxy-2,2-dimethyl-6,11-dioxo-1-oxatetracene-8-carboxylate

C24H20O9 (452.1107)


   

(4r,5s,14r)-4,14-bis(3,4-dihydroxyphenyl)-5,8-dihydroxy-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),2(7),8-trien-12-one

(4r,5s,14r)-4,14-bis(3,4-dihydroxyphenyl)-5,8-dihydroxy-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),2(7),8-trien-12-one

C24H20O9 (452.1107)


   

(2r,3r)-3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-2h,3h-phenanthro[2,1-b]furan-8,10-diol

(2r,3r)-3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-2h,3h-phenanthro[2,1-b]furan-8,10-diol

C28H20O6 (452.126)


   

5-(3,5-dihydroxyphenyl)-4-(4-hydroxyphenyl)-4,5-dihydroacephenanthrylene-1,3,9-triol

5-(3,5-dihydroxyphenyl)-4-(4-hydroxyphenyl)-4,5-dihydroacephenanthrylene-1,3,9-triol

C28H20O6 (452.126)


   

cinchonain-ib

cinchonain-ib

C24H20O9 (452.1107)


   

4-hydroxy-2,5-bis(4-hydroxyphenyl)-3,6-dioxocyclohexa-1,4-dien-1-yl (2z,4r,5s)-4,5-dihydroxyhex-2-enoate

4-hydroxy-2,5-bis(4-hydroxyphenyl)-3,6-dioxocyclohexa-1,4-dien-1-yl (2z,4r,5s)-4,5-dihydroxyhex-2-enoate

C24H20O9 (452.1107)


   

5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3-yl 3-(4-hydroxyphenyl)prop-2-enoate

5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3-yl 3-(4-hydroxyphenyl)prop-2-enoate

C24H20O9 (452.1107)


   

5-[6-hydroxy-2-(4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)ethenyl]-1-benzofuran-3-yl]benzene-1,3-diol

5-[6-hydroxy-2-(4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)ethenyl]-1-benzofuran-3-yl]benzene-1,3-diol

C28H20O6 (452.126)


   

5-[6-hydroxy-2-(4-hydroxyphenyl)-4-[(1z)-2-(4-hydroxyphenyl)ethenyl]-1-benzofuran-3-yl]benzene-1,3-diol

5-[6-hydroxy-2-(4-hydroxyphenyl)-4-[(1z)-2-(4-hydroxyphenyl)ethenyl]-1-benzofuran-3-yl]benzene-1,3-diol

C28H20O6 (452.126)


   

3-hydroxy-9-{[6-hydroxy-2-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-yl]oxy}-10-methoxybenzo[c]chromen-6-one

3-hydroxy-9-{[6-hydroxy-2-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-yl]oxy}-10-methoxybenzo[c]chromen-6-one

C24H20O9 (452.1107)


   

(6r,12r,13s)-6,12-bis(3,4-dihydroxyphenyl)-8,13-dihydroxy-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1,7,9-trien-4-one

(6r,12r,13s)-6,12-bis(3,4-dihydroxyphenyl)-8,13-dihydroxy-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1,7,9-trien-4-one

C24H20O9 (452.1107)


   

5-[4-hydroxy-2-(4-hydroxyphenyl)-6-[2-(4-hydroxyphenyl)ethenyl]-1-benzofuran-3-yl]benzene-1,3-diol

5-[4-hydroxy-2-(4-hydroxyphenyl)-6-[2-(4-hydroxyphenyl)ethenyl]-1-benzofuran-3-yl]benzene-1,3-diol

C28H20O6 (452.126)


   

7,9-bis(4-hydroxyphenyl)-8,18-dioxapentacyclo[13.2.1.0⁵,¹⁷.0⁶,¹⁰.0¹¹,¹⁶]octadeca-1(17),2,4,11,13,15-hexaene-3,13-diol

7,9-bis(4-hydroxyphenyl)-8,18-dioxapentacyclo[13.2.1.0⁵,¹⁷.0⁶,¹⁰.0¹¹,¹⁶]octadeca-1(17),2,4,11,13,15-hexaene-3,13-diol

C28H20O6 (452.126)


   

ethyl 3-(3,4-dihydroxyphenyl)-2-{6-[2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxy-2-oxopyran-3-yl}prop-2-enoate

ethyl 3-(3,4-dihydroxyphenyl)-2-{6-[2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxy-2-oxopyran-3-yl}prop-2-enoate

C24H20O9 (452.1107)


   

(1r,16r)-9,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.0²,⁷.0¹⁴,¹⁷]heptadeca-2,4,6,8,10,12,14(17)-heptaene-4,6,12-triol

(1r,16r)-9,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.0²,⁷.0¹⁴,¹⁷]heptadeca-2,4,6,8,10,12,14(17)-heptaene-4,6,12-triol

C28H20O6 (452.126)


   

(2r,3r)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3-yl (2z)-3-(4-hydroxyphenyl)prop-2-enoate

(2r,3r)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3-yl (2z)-3-(4-hydroxyphenyl)prop-2-enoate

C24H20O9 (452.1107)


   

9-hydroxy-2-(2-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-12-methoxy-2,3-dihydro-1,4,5-trioxatetraphen-10-one

9-hydroxy-2-(2-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-12-methoxy-2,3-dihydro-1,4,5-trioxatetraphen-10-one

C24H20O9 (452.1107)


   

(4s,5s,14r)-4,14-bis(3,4-dihydroxyphenyl)-5,8-dihydroxy-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),2(7),8-trien-12-one

(4s,5s,14r)-4,14-bis(3,4-dihydroxyphenyl)-5,8-dihydroxy-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),2(7),8-trien-12-one

C24H20O9 (452.1107)


   

(2r,3r,10r,11r)-3,11-bis(4-hydroxyphenyl)-4,12-dioxapentacyclo[8.6.1.1²,⁵.0¹³,¹⁷.0⁹,¹⁸]octadeca-1(17),5(18),6,8,13,15-hexaene-7,15-diol

(2r,3r,10r,11r)-3,11-bis(4-hydroxyphenyl)-4,12-dioxapentacyclo[8.6.1.1²,⁵.0¹³,¹⁷.0⁹,¹⁸]octadeca-1(17),5(18),6,8,13,15-hexaene-7,15-diol

C28H20O6 (452.126)