Exact Mass: 456.1995

Exact Mass Matches: 456.1995

Found 191 metabolites which its exact mass value is equals to given mass value 456.1995, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Delavirdine

1-(3-((1-Methylethyl)amino)-2-pyridinyl)-4-((5-((methylsulphonyl)amino)-1H-indol-2-yl)carbonyl)piperazine

C22H28N6O3S (456.1943)


Delavirdine is only found in individuals that have used or taken this drug. It is a potent, non-nucleoside reverse transcriptase inhibitor with activity specific for HIV-1. [PubChem]Delavirdine binds directly to viral reverse transcriptase (RT) and blocks the RNA-dependent and DNA-dependent DNA polymerase activities by disrupting the enzymes catalytic site. J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AG - Non-nucleoside reverse transcriptase inhibitors C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97453 - Non-nucleoside Reverse Transcriptase Inhibitor D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D018894 - Reverse Transcriptase Inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors C254 - Anti-Infective Agent > C281 - Antiviral Agent

   

Sudan black B

2,2-dimethyl-6-{2-[4-(2-phenyldiazen-1-yl)naphthalen-1-yl]diazen-1-yl}-2,3-dihydro-1H-perimidine

C29H24N6 (456.2062)


   

Glochidacuminoside C

Glochidacuminoside C

C22H32O10 (456.1995)


   

14-Hydroxyperrottetin E 11-methyl ether

14-Hydroxyperrottetin E 11-methyl ether

C29H28O5 (456.1937)


   

Kopsamine

(-)-N-Methoxycarbonyl-11,12-methylenedioxy-kopsinaline

C24H28N2O7 (456.1896)


   

Bulbocodin D

Bulbocodin D

C29H28O5 (456.1937)


   

Bulbocodin C

Bulbocodin C

C29H28O5 (456.1937)


   
   

Singapurensine B

Singapurensine B

C24H28N2O7 (456.1896)


   

Benastatin C

Benastatin C

C29H28O5 (456.1937)


   

Perrottetin G

Perrottetin G

C29H28O5 (456.1937)


   

2,6-Bis(4-hydroxybenzyl)-3,3-dihydroxy-5-methoxybibenzyl

2,6-Bis(4-hydroxybenzyl)-3,3-dihydroxy-5-methoxybibenzyl

C29H28O5 (456.1937)


   

Kopsidasine N-oxide

Kopsidasine N-oxide

C24H28N2O7 (456.1896)


   

13-Me ether,3-O-beta-D-glucopyranoside-3,8,13-Trihydroxy-4(15),10(14)-guaiadien-12,6-olide

13-Me ether,3-O-beta-D-glucopyranoside-3,8,13-Trihydroxy-4(15),10(14)-guaiadien-12,6-olide

C22H32O10 (456.1995)


   

4-[2-(3-Methoxyphenyl)ethyl]-2-[4-[2-(2,5-dihydroxyphenyl)ethyl]phenoxy]phenol

4-[2-(3-Methoxyphenyl)ethyl]-2-[4-[2-(2,5-dihydroxyphenyl)ethyl]phenoxy]phenol

C29H28O5 (456.1937)


   
   

11a-hydroxy-7,8-dimethoxy-13-methyl-1a,2,3a,4,9c,9d,11,11a-octahydro-5h,10h-9b,11b-(ethanoiminomethano)-1,3-dioxa-5a-azacyclopropa[4,5]cyclohepta[1,2,3-cd]fluoranthene-5,10-dione

11a-hydroxy-7,8-dimethoxy-13-methyl-1a,2,3a,4,9c,9d,11,11a-octahydro-5h,10h-9b,11b-(ethanoiminomethano)-1,3-dioxa-5a-azacyclopropa[4,5]cyclohepta[1,2,3-cd]fluoranthene-5,10-dione

C24H28N2O7 (456.1896)


   

(8E)-decaene-4,6-diyn-1-O-alpha-L-rhamnopyranosyl-(1->6)-beta-D-glucopyranoside

(8E)-decaene-4,6-diyn-1-O-alpha-L-rhamnopyranosyl-(1->6)-beta-D-glucopyranoside

C22H32O10 (456.1995)


   

4-deacetyltaxagifine III|4-Decetyltaxagifin III

4-deacetyltaxagifine III|4-Decetyltaxagifin III

C22H32O10 (456.1995)


   

1-(2-hydroxy-3-O-beta-D-cymaropyranosyl-6-O-beta-D-oleandropyranosyl-phenyl)-ethanone

1-(2-hydroxy-3-O-beta-D-cymaropyranosyl-6-O-beta-D-oleandropyranosyl-phenyl)-ethanone

C22H32O10 (456.1995)


   

jatairidoids C|[(1R,3R,4aR,6S,7R,7aS)-6-(acetyloxy)hexahydro-1,4a-dihydroxy-4-methylidene-3,7-epoxycyclopenta[c]pyran-7(1H)-yl]methyl 3-methyl-2-[(3-methylbutanoyl)oxy]butanoate

jatairidoids C|[(1R,3R,4aR,6S,7R,7aS)-6-(acetyloxy)hexahydro-1,4a-dihydroxy-4-methylidene-3,7-epoxycyclopenta[c]pyran-7(1H)-yl]methyl 3-methyl-2-[(3-methylbutanoyl)oxy]butanoate

C22H32O10 (456.1995)


   

3,7-Dihydroxy Toxin HT2

3,7-Dihydroxy Toxin HT2

C22H32O10 (456.1995)


   

Dichotine, acetate (ester)

Dichotine, acetate (ester)

C24H28N2O7 (456.1896)


   

CHEMBL182868

CHEMBL182868

C29H28O5 (456.1937)


   
   
   
   
   
   

Ala Glu His Thr

(4S)-4-[(2S)-2-aminopropanamido]-4-{[(1S)-1-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}butanoic acid

C18H28N6O8 (456.1969)


   

Ala Glu Thr His

(4S)-4-[(2S)-2-aminopropanamido]-4-{[(1S,2R)-1-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}butanoic acid

C18H28N6O8 (456.1969)


   

Ala Phe Gly Tyr

(2S)-2-{2-[(2S)-2-[(2S)-2-aminopropanamido]-3-phenylpropanamido]acetamido}-3-(4-hydroxyphenyl)propanoic acid

C23H28N4O6 (456.2009)


   

Ala Phe Tyr Gly

2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]acetic acid

C23H28N4O6 (456.2009)


   

Ala Gly Phe Tyr

(2S)-2-[(2S)-2-{2-[(2S)-2-aminopropanamido]acetamido}-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanoic acid

C23H28N4O6 (456.2009)


   

Ala Gly Tyr Phe

(2S)-2-[(2S)-2-{2-[(2S)-2-aminopropanamido]acetamido}-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanoic acid

C23H28N4O6 (456.2009)


   

Ala His Glu Thr

(4S)-4-[(2S)-2-[(2S)-2-aminopropanamido]-3-(1H-imidazol-4-yl)propanamido]-4-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}butanoic acid

C18H28N6O8 (456.1969)


   

Ala His Thr Glu

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-aminopropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-hydroxybutanamido]pentanedioic acid

C18H28N6O8 (456.1969)


   

Ala Thr Glu His

(4S)-4-[(2S,3R)-2-[(2S)-2-aminopropanamido]-3-hydroxybutanamido]-4-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}butanoic acid

C18H28N6O8 (456.1969)


   

Ala Thr His Glu

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-aminopropanamido]-3-hydroxybutanamido]-3-(1H-imidazol-4-yl)propanamido]pentanedioic acid

C18H28N6O8 (456.1969)


   

Ala Tyr Phe Gly

2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]acetic acid

C23H28N4O6 (456.2009)


   

Ala Tyr Gly Phe

(2S)-2-{2-[(2S)-2-[(2S)-2-aminopropanamido]-3-(4-hydroxyphenyl)propanamido]acetamido}-3-phenylpropanoic acid

C23H28N4O6 (456.2009)


   

Asp His Ser Val

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-hydroxypropanamido]-3-methylbutanoic acid

C18H28N6O8 (456.1969)


   

Asp His Val Ser

(3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}-2-methylpropyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}propanoic acid

C18H28N6O8 (456.1969)


   

Asp Ser His Val

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-hydroxypropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-methylbutanoic acid

C18H28N6O8 (456.1969)


   

Asp Ser Val His

(3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-2-methylpropyl]carbamoyl}-2-hydroxyethyl]carbamoyl}propanoic acid

C18H28N6O8 (456.1969)


   

Asp Val His Ser

(3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-2-methylpropyl]carbamoyl}propanoic acid

C18H28N6O8 (456.1969)


   

Asp Val Ser His

(3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-2-methylpropyl]carbamoyl}propanoic acid

C18H28N6O8 (456.1969)


   

8-hydroxymianserin glucuronide

8-hydroxymianserin glucuronide

C24H28N2O7 (456.1896)


   

Glu Ala His Thr

(4S)-4-amino-4-{[(1S)-1-{[(1S)-1-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}ethyl]carbamoyl}butanoic acid

C18H28N6O8 (456.1969)


   

Glu Ala Thr His

(4S)-4-amino-4-{[(1S)-1-{[(1S,2R)-1-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}ethyl]carbamoyl}butanoic acid

C18H28N6O8 (456.1969)


   

Glu His Ala Thr

(4S)-4-amino-4-{[(1S)-1-{[(1S)-1-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}ethyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}butanoic acid

C18H28N6O8 (456.1969)


   

Glu His Thr Ala

(4S)-4-amino-4-{[(1S)-1-{[(1S,2R)-1-{[(1S)-1-carboxyethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}butanoic acid

C18H28N6O8 (456.1969)


   

Glu Thr Ala His

(4S)-4-amino-4-{[(1S,2R)-1-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}ethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}butanoic acid

C18H28N6O8 (456.1969)


   

Glu Thr His Ala

(4S)-4-amino-4-{[(1S,2R)-1-{[(1S)-1-{[(1S)-1-carboxyethyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}butanoic acid

C18H28N6O8 (456.1969)


   

Phe Ala Gly Tyr

(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]propanamido]acetamido}-3-(4-hydroxyphenyl)propanoic acid

C23H28N4O6 (456.2009)


   

Phe Ala Tyr Gly

2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]propanamido]-3-(4-hydroxyphenyl)propanamido]acetic acid

C23H28N4O6 (456.2009)


   

Phe Phe Gly Ser

(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-phenylpropanamido]acetamido}-3-hydroxypropanoic acid

C23H28N4O6 (456.2009)


   

Phe Phe Ser Gly

2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-phenylpropanamido]-3-hydroxypropanamido]acetic acid

C23H28N4O6 (456.2009)


   

Phe Gly Ala Tyr

(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-phenylpropanamido]acetamido}propanamido]-3-(4-hydroxyphenyl)propanoic acid

C23H28N4O6 (456.2009)


   

Phe Gly Phe Ser

(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-phenylpropanamido]acetamido}-3-phenylpropanamido]-3-hydroxypropanoic acid

C23H28N4O6 (456.2009)


   

Phe Gly Ser Phe

(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-phenylpropanamido]acetamido}-3-hydroxypropanamido]-3-phenylpropanoic acid

C23H28N4O6 (456.2009)


   

Phe Gly Tyr Ala

(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-phenylpropanamido]acetamido}-3-(4-hydroxyphenyl)propanamido]propanoic acid

C23H28N4O6 (456.2009)


   

Phe Ser Phe Gly

2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-hydroxypropanamido]-3-phenylpropanamido]acetic acid

C23H28N4O6 (456.2009)


   

Phe Ser Gly Phe

(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-hydroxypropanamido]acetamido}-3-phenylpropanoic acid

C23H28N4O6 (456.2009)


   

Phe Tyr Ala Gly

2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]propanamido]acetic acid

C23H28N4O6 (456.2009)


   

Phe Tyr Gly Ala

(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]acetamido}propanoic acid

C23H28N4O6 (456.2009)


   

Gly Ala Phe Tyr

(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)propanamido]-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanoic acid

C23H28N4O6 (456.2009)


   

Gly Ala Tyr Phe

(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanoic acid

C23H28N4O6 (456.2009)


   

Gly Phe Ala Tyr

(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-phenylpropanamido]propanamido]-3-(4-hydroxyphenyl)propanoic acid

C23H28N4O6 (456.2009)


   

Gly Phe Phe Ser

(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-phenylpropanamido]-3-phenylpropanamido]-3-hydroxypropanoic acid

C23H28N4O6 (456.2009)


   

Gly Phe Ser Phe

(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-phenylpropanamido]-3-hydroxypropanamido]-3-phenylpropanoic acid

C23H28N4O6 (456.2009)


   

Gly Phe Tyr Ala

(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]propanoic acid

C23H28N4O6 (456.2009)


   

Gly Ser Phe Phe

(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-hydroxypropanamido]-3-phenylpropanamido]-3-phenylpropanoic acid

C23H28N4O6 (456.2009)


   

Gly Tyr Ala Phe

(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-(4-hydroxyphenyl)propanamido]propanamido]-3-phenylpropanoic acid

C23H28N4O6 (456.2009)


   

Gly Tyr Phe Ala

(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]propanoic acid

C23H28N4O6 (456.2009)


   

His Ala Glu Thr

(4S)-4-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]propanamido]-4-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}butanoic acid

C18H28N6O8 (456.1969)


   

His Ala Thr Glu

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]propanamido]-3-hydroxybutanamido]pentanedioic acid

C18H28N6O8 (456.1969)


   

His Asp Ser Val

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-carboxypropanamido]-3-hydroxypropanamido]-3-methylbutanoic acid

C18H28N6O8 (456.1969)


   

His Asp Val Ser

(3S)-3-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-{[(1S)-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}-2-methylpropyl]carbamoyl}propanoic acid

C18H28N6O8 (456.1969)


   

His Glu Ala Thr

(4S)-4-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-{[(1S)-1-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}ethyl]carbamoyl}butanoic acid

C18H28N6O8 (456.1969)


   

His Glu Thr Ala

(4S)-4-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-{[(1S,2R)-1-{[(1S)-1-carboxyethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}butanoic acid

C18H28N6O8 (456.1969)


   

His Ser Asp Val

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-hydroxypropanamido]-3-carboxypropanamido]-3-methylbutanoic acid

C18H28N6O8 (456.1969)


   

His Ser Val Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-hydroxypropanamido]-3-methylbutanamido]butanedioic acid

C18H28N6O8 (456.1969)


   

His Thr Ala Glu

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-hydroxybutanamido]propanamido]pentanedioic acid

C18H28N6O8 (456.1969)


   

His Thr Glu Ala

(4S)-4-[(2S,3R)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-hydroxybutanamido]-4-{[(1S)-1-carboxyethyl]carbamoyl}butanoic acid

C18H28N6O8 (456.1969)


   

His Val Asp Ser

(3S)-3-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-methylbutanamido]-3-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}propanoic acid

C18H28N6O8 (456.1969)


   

His Val Ser Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-methylbutanamido]-3-hydroxypropanamido]butanedioic acid

C18H28N6O8 (456.1969)


   
   

Ser Asp His Val

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-carboxypropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-methylbutanoic acid

C18H28N6O8 (456.1969)


   

Ser Asp Val His

(3S)-3-[(2S)-2-amino-3-hydroxypropanamido]-3-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-2-methylpropyl]carbamoyl}propanoic acid

C18H28N6O8 (456.1969)


   

Ser Phe Phe Gly

2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-phenylpropanamido]-3-phenylpropanamido]acetic acid

C23H28N4O6 (456.2009)


   

Ser Phe Gly Phe

(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-phenylpropanamido]acetamido}-3-phenylpropanoic acid

C23H28N4O6 (456.2009)


   

Ser Gly Phe Phe

(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-hydroxypropanamido]acetamido}-3-phenylpropanamido]-3-phenylpropanoic acid

C23H28N4O6 (456.2009)


   

Ser His Asp Val

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-carboxypropanamido]-3-methylbutanoic acid

C18H28N6O8 (456.1969)


   

Ser His Val Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-methylbutanamido]butanedioic acid

C18H28N6O8 (456.1969)


   
   

Ser Val Asp His

(3S)-3-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-methylbutanamido]-3-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}propanoic acid

C18H28N6O8 (456.1969)


   

Ser Val His Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-methylbutanamido]-3-(1H-imidazol-4-yl)propanamido]butanedioic acid

C18H28N6O8 (456.1969)


   

Thr Ala Glu His

(4S)-4-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]propanamido]-4-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}butanoic acid

C18H28N6O8 (456.1969)


   

Thr Ala His Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]propanamido]-3-(1H-imidazol-4-yl)propanamido]pentanedioic acid

C18H28N6O8 (456.1969)


   

Thr Glu Ala His

(4S)-4-[(2S,3R)-2-amino-3-hydroxybutanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}ethyl]carbamoyl}butanoic acid

C18H28N6O8 (456.1969)


   

Thr Glu His Ala

(4S)-4-[(2S,3R)-2-amino-3-hydroxybutanamido]-4-{[(1S)-1-{[(1S)-1-carboxyethyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}butanoic acid

C18H28N6O8 (456.1969)


   

Thr His Ala Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-(1H-imidazol-4-yl)propanamido]propanamido]pentanedioic acid

C18H28N6O8 (456.1969)


   

Thr His Glu Ala

(4S)-4-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-(1H-imidazol-4-yl)propanamido]-4-{[(1S)-1-carboxyethyl]carbamoyl}butanoic acid

C18H28N6O8 (456.1969)


   

Val Asp His Ser

(3S)-3-[(2S)-2-amino-3-methylbutanamido]-3-{[(1S)-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}propanoic acid

C18H28N6O8 (456.1969)


   

Val Asp Ser His

(3S)-3-[(2S)-2-amino-3-methylbutanamido]-3-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}propanoic acid

C18H28N6O8 (456.1969)


   

Val His Asp Ser

(3S)-3-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-(1H-imidazol-4-yl)propanamido]-3-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}propanoic acid

C18H28N6O8 (456.1969)


   

Val His Ser Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-(1H-imidazol-4-yl)propanamido]-3-hydroxypropanamido]butanedioic acid

C18H28N6O8 (456.1969)


   

Val Ser Asp His

(3S)-3-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-hydroxypropanamido]-3-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}propanoic acid

C18H28N6O8 (456.1969)


   

Val Ser His Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-hydroxypropanamido]-3-(1H-imidazol-4-yl)propanamido]butanedioic acid

C18H28N6O8 (456.1969)


   

Tyr Ala Phe Gly

2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]propanamido]-3-phenylpropanamido]acetic acid

C23H28N4O6 (456.2009)


   

Tyr Ala Gly Phe

(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]propanamido]acetamido}-3-phenylpropanoic acid

C23H28N4O6 (456.2009)


   

Tyr Phe Ala Gly

2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]propanamido]acetic acid

C23H28N4O6 (456.2009)


   

Tyr Phe Gly Ala

(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]acetamido}propanoic acid

C23H28N4O6 (456.2009)


   

Tyr Gly Ala Phe

(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]acetamido}propanamido]-3-phenylpropanoic acid

C23H28N4O6 (456.2009)


   

Tyr Gly Phe Ala

(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]acetamido}-3-phenylpropanamido]propanoic acid

C23H28N4O6 (456.2009)


   

Levocabastine hydrochloride

Levocabastine hydrochloride

C26H30ClFN2O2 (456.198)


D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist

   
   

1-methoxy-3-[4-(2-methoxy-2-phenylethyl)piperazin-1-yl]-1-phenylpropan-2-ol,dihydrochloride

1-methoxy-3-[4-(2-methoxy-2-phenylethyl)piperazin-1-yl]-1-phenylpropan-2-ol,dihydrochloride

C23H34Cl2N2O3 (456.1946)


   

Sudan black B

Solvent Black 3

C29H24N6 (456.2062)


D004396 - Coloring Agents

   

1-[3-(1,3-benzodioxol-5-yloxy)propyl]-4-phenylpiperazine

1-[3-(1,3-benzodioxol-5-yloxy)propyl]-4-phenylpiperazine

C24H28N2O7 (456.1896)


   

ONO-4059 (analog)

ONO-4059 (analog)

C25H24N6O3 (456.191)


   

Boc-Arg(Mts)-OH·CHA

Boc-Arg(Mts)-OH·CHA

C20H32N4O6S (456.2042)


   

3-Quinolineacetic acid, 4-(2,3-dihydropyrano[4,3,2-de]quinolin-7-yl)-α-(1,1-dimethylethoxy)-2-methyl-, methyl ester, (αS,4R)-

3-Quinolineacetic acid, 4-(2,3-dihydropyrano[4,3,2-de]quinolin-7-yl)-α-(1,1-dimethylethoxy)-2-methyl-, methyl ester, (αS,4R)-

C28H28N2O4 (456.2049)


   
   
   

N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(5-methyl-3-isoxazolyl)butanediamide

N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(5-methyl-3-isoxazolyl)butanediamide

C23H28N4O6 (456.2009)


   

1-[1-[[1-[(4-Methylphenyl)methyl]-5-tetrazolyl]methyl]-4-piperidinyl]-5-(trifluoromethyl)benzotriazole

1-[1-[[1-[(4-Methylphenyl)methyl]-5-tetrazolyl]methyl]-4-piperidinyl]-5-(trifluoromethyl)benzotriazole

C22H23F3N8 (456.1998)


   

Ethyl 2-[5-benzyloxy-4-(trifluoromethyl)biphenyl-3-yl]pentanoate

Ethyl 2-[5-benzyloxy-4-(trifluoromethyl)biphenyl-3-yl]pentanoate

C27H27F3O3 (456.1912)


   

3-(2-((Tributylstannyl)methoxy)phenyl)propan-1-ol

3-(2-((Tributylstannyl)methoxy)phenyl)propan-1-ol

C22H40O2Sn (456.205)


   

N-[2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[(2-methoxyphenyl)sulfonylamino]-2-oxanyl]ethyl]-4-oxanecarboxamide

N-[2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[(2-methoxyphenyl)sulfonylamino]-2-oxanyl]ethyl]-4-oxanecarboxamide

C21H32N2O7S (456.193)


   

N-[2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[(2-methoxyphenyl)sulfonylamino]-2-oxanyl]ethyl]-4-oxanecarboxamide

N-[2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[(2-methoxyphenyl)sulfonylamino]-2-oxanyl]ethyl]-4-oxanecarboxamide

C21H32N2O7S (456.193)


   

N-[2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[(2-methoxyphenyl)sulfonylamino]-2-oxanyl]ethyl]-4-oxanecarboxamide

N-[2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[(2-methoxyphenyl)sulfonylamino]-2-oxanyl]ethyl]-4-oxanecarboxamide

C21H32N2O7S (456.193)


   

N-[2-[(2S,5S,6R)-6-(hydroxymethyl)-5-[(2-methoxyphenyl)sulfonylamino]oxan-2-yl]ethyl]oxane-4-carboxamide

N-[2-[(2S,5S,6R)-6-(hydroxymethyl)-5-[(2-methoxyphenyl)sulfonylamino]oxan-2-yl]ethyl]oxane-4-carboxamide

C21H32N2O7S (456.193)


   

N-[2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[(2-methoxyphenyl)sulfonylamino]-2-oxanyl]ethyl]-4-oxanecarboxamide

N-[2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[(2-methoxyphenyl)sulfonylamino]-2-oxanyl]ethyl]-4-oxanecarboxamide

C21H32N2O7S (456.193)


   

[(8S,9S,10R)-6-(4-methoxyphenyl)sulfonyl-9-[4-[(E)-prop-1-enyl]phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol

[(8S,9S,10R)-6-(4-methoxyphenyl)sulfonyl-9-[4-[(E)-prop-1-enyl]phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol

C25H32N2O4S (456.2083)


   

[(8R,9S,10S)-6-(4-methoxyphenyl)sulfonyl-9-[4-[(E)-prop-1-enyl]phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol

[(8R,9S,10S)-6-(4-methoxyphenyl)sulfonyl-9-[4-[(E)-prop-1-enyl]phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol

C25H32N2O4S (456.2083)


   

[(8R,9R,10R)-6-(4-methoxyphenyl)sulfonyl-9-[4-[(E)-prop-1-enyl]phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol

[(8R,9R,10R)-6-(4-methoxyphenyl)sulfonyl-9-[4-[(E)-prop-1-enyl]phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol

C25H32N2O4S (456.2083)


   

N-[2-[(2S,5R,6S)-6-(hydroxymethyl)-5-[(2-methoxyphenyl)sulfonylamino]-2-oxanyl]ethyl]-4-oxanecarboxamide

N-[2-[(2S,5R,6S)-6-(hydroxymethyl)-5-[(2-methoxyphenyl)sulfonylamino]-2-oxanyl]ethyl]-4-oxanecarboxamide

C21H32N2O7S (456.193)


   

N-[2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[(2-methoxyphenyl)sulfonylamino]-2-oxanyl]ethyl]-4-oxanecarboxamide

N-[2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[(2-methoxyphenyl)sulfonylamino]-2-oxanyl]ethyl]-4-oxanecarboxamide

C21H32N2O7S (456.193)


   

N-[2-[(2S,5R,6R)-6-(hydroxymethyl)-5-[(2-methoxyphenyl)sulfonylamino]-2-oxanyl]ethyl]-4-oxanecarboxamide

N-[2-[(2S,5R,6R)-6-(hydroxymethyl)-5-[(2-methoxyphenyl)sulfonylamino]-2-oxanyl]ethyl]-4-oxanecarboxamide

C21H32N2O7S (456.193)


   

N-[(2R,4aR,12aR)-2-[2-(ethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-5-methyl-3-isoxazolecarboxamide

N-[(2R,4aR,12aR)-2-[2-(ethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-5-methyl-3-isoxazolecarboxamide

C23H28N4O6 (456.2009)


   

2-[(3S,6aS,8R,10aS)-1-[(2-fluorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(phenylmethyl)acetamide

2-[(3S,6aS,8R,10aS)-1-[(2-fluorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(phenylmethyl)acetamide

C25H29FN2O5 (456.206)


   

(3aR,4R,9bS)-8-(4-cyanophenyl)-N-(3-fluorophenyl)-4-(hydroxymethyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-1-carboxamide

(3aR,4R,9bS)-8-(4-cyanophenyl)-N-(3-fluorophenyl)-4-(hydroxymethyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-1-carboxamide

C27H25FN4O2 (456.1961)


   

[(8R,9R,10S)-6-(4-methoxyphenyl)sulfonyl-9-[4-[(E)-prop-1-enyl]phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol

[(8R,9R,10S)-6-(4-methoxyphenyl)sulfonyl-9-[4-[(E)-prop-1-enyl]phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol

C25H32N2O4S (456.2083)


   

[(8S,9R,10S)-6-(4-methoxyphenyl)sulfonyl-9-[4-[(E)-prop-1-enyl]phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol

[(8S,9R,10S)-6-(4-methoxyphenyl)sulfonyl-9-[4-[(E)-prop-1-enyl]phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol

C25H32N2O4S (456.2083)


   

[(8R,9S,10R)-6-(4-methoxyphenyl)sulfonyl-9-[4-[(E)-prop-1-enyl]phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol

[(8R,9S,10R)-6-(4-methoxyphenyl)sulfonyl-9-[4-[(E)-prop-1-enyl]phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol

C25H32N2O4S (456.2083)


   

[(8S,9S,10S)-6-(4-methoxyphenyl)sulfonyl-9-[4-[(E)-prop-1-enyl]phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol

[(8S,9S,10S)-6-(4-methoxyphenyl)sulfonyl-9-[4-[(E)-prop-1-enyl]phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol

C25H32N2O4S (456.2083)


   

[(8S,9R,10R)-6-(4-methoxyphenyl)sulfonyl-9-[4-[(E)-prop-1-enyl]phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol

[(8S,9R,10R)-6-(4-methoxyphenyl)sulfonyl-9-[4-[(E)-prop-1-enyl]phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol

C25H32N2O4S (456.2083)


   

[(2S,3R)-1-(4-oxanylmethyl)-3-phenyl-6-(phenylmethyl)sulfonyl-1,6-diazaspiro[3.3]heptan-2-yl]methanol

[(2S,3R)-1-(4-oxanylmethyl)-3-phenyl-6-(phenylmethyl)sulfonyl-1,6-diazaspiro[3.3]heptan-2-yl]methanol

C25H32N2O4S (456.2083)


   
   
   
   
   

2,6-dimethyl-3,4-dihydropyridine-3,4,5-tricarboxylic acid O4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] ester O3,O5-diethyl ester

2,6-dimethyl-3,4-dihydropyridine-3,4,5-tricarboxylic acid O4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] ester O3,O5-diethyl ester

C24H28N2O7 (456.1896)


   
   

Delavirdine

Delavirdine

C22H28N6O3S (456.1943)


J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AG - Non-nucleoside reverse transcriptase inhibitors C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97453 - Non-nucleoside Reverse Transcriptase Inhibitor D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D018894 - Reverse Transcriptase Inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors C254 - Anti-Infective Agent > C281 - Antiviral Agent

   

ST 26:7;O2;S

ST 26:7;O2;S

C26H32O5S (456.197)


   

P2X3 antagonist 34

P2X3 antagonist 34

C24H26F2N4O3 (456.1973)


P2X3 antagonist 34 is a potent, selective and orally active P2X3 homotrimeric receptor antagonist with IC50s of 25?nM, 92?nM and 126?nM for human P2X3, rat P2X3 and guinea pig P2X3 receptors, respectively. P2X3 antagonist 34 is less active against human, rat and guinea pig P2X2/3 heterotrimeric receptors. P2X3 antagonist 34 has strong anti-tussive effect[1].

   

13,15-dimethyl 15-hydroxy-20-methoxy-17-oxa-3,13-diazaheptacyclo[12.6.2.0¹,¹⁶.0²,⁶.0³,¹⁸.0⁶,¹⁴.0⁷,¹²]docosa-7,9,11-triene-13,15-dicarboxylate

13,15-dimethyl 15-hydroxy-20-methoxy-17-oxa-3,13-diazaheptacyclo[12.6.2.0¹,¹⁶.0²,⁶.0³,¹⁸.0⁶,¹⁴.0⁷,¹²]docosa-7,9,11-triene-13,15-dicarboxylate

C24H28N2O7 (456.1896)


   

(2r,3r,4s,5s,6r)-2-[(8e)-dec-8-en-4,6-diyn-1-yloxy]-6-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxane-3,4,5-triol

(2r,3r,4s,5s,6r)-2-[(8e)-dec-8-en-4,6-diyn-1-yloxy]-6-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxane-3,4,5-triol

C22H32O10 (456.1995)


   

2,18-dimethyl 17,18-dihydroxy-4-methoxy-2,12-diazahexacyclo[14.2.2.1⁹,¹².0¹,⁹.0³,⁸.0¹⁶,²¹]henicosa-3,5,7,14-tetraene-2,18-dicarboxylate

2,18-dimethyl 17,18-dihydroxy-4-methoxy-2,12-diazahexacyclo[14.2.2.1⁹,¹².0¹,⁹.0³,⁸.0¹⁶,²¹]henicosa-3,5,7,14-tetraene-2,18-dicarboxylate

C24H28N2O7 (456.1896)


   

(3,4,5-trihydroxy-6-{[2-(4-hydroxycyclohex-1-en-1-yl)acetyl]oxy}oxan-2-yl)methyl 2-(4-hydroxycyclohex-1-en-1-yl)acetate

(3,4,5-trihydroxy-6-{[2-(4-hydroxycyclohex-1-en-1-yl)acetyl]oxy}oxan-2-yl)methyl 2-(4-hydroxycyclohex-1-en-1-yl)acetate

C22H32O10 (456.1995)


   

(3r,3ar,4r,6ar,8s,9ar,9br)-4-hydroxy-3-(methoxymethyl)-6,9-dimethylidene-8-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-octahydro-3h-azuleno[4,5-b]furan-2-one

(3r,3ar,4r,6ar,8s,9ar,9br)-4-hydroxy-3-(methoxymethyl)-6,9-dimethylidene-8-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-octahydro-3h-azuleno[4,5-b]furan-2-one

C22H32O10 (456.1995)


   

2,18-dimethyl (1s,9r,16r,17r,18r,21r)-17,18-dihydroxy-4-methoxy-2,12-diazahexacyclo[14.2.2.1⁹,¹².0¹,⁹.0³,⁸.0¹⁶,²¹]henicosa-3,5,7,14-tetraene-2,18-dicarboxylate

2,18-dimethyl (1s,9r,16r,17r,18r,21r)-17,18-dihydroxy-4-methoxy-2,12-diazahexacyclo[14.2.2.1⁹,¹².0¹,⁹.0³,⁸.0¹⁶,²¹]henicosa-3,5,7,14-tetraene-2,18-dicarboxylate

C24H28N2O7 (456.1896)


   

2',6'-bis(p-hydroxybenzyl)-3,3'-dihydroxy-5-methoxybibenzyl

NA

C29H28O5 (456.1937)


{"Ingredient_id": "HBIN004864","Ingredient_name": "2',6'-bis(p-hydroxybenzyl)-3,3'-dihydroxy-5-methoxybibenzyl","Alias": "NA","Ingredient_formula": "C29H28O5","Ingredient_Smile": "COC1=CC(=CC(=C1)O)CCC2=C(C=CC(=C2CC3=CC=C(C=C3)O)O)CC4=CC=C(C=C4)O","Ingredient_weight": "456.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2456","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "67233527","DrugBank_id": "NA"}

   

3′, 3′-dihydroxy- 5-methoxybibenzyl

NA

C29H28O5 (456.1937)


{"Ingredient_id": "HBIN007175","Ingredient_name": "3\u2032, 3\u2032-dihydroxy- 5-methoxybibenzyl","Alias": "NA","Ingredient_formula": "C29H28O5","Ingredient_Smile": "COC1=CC(=CC(=C1)O)CCC2=C(C=CC(=C2CC3=CC=C(C=C3)O)O)CC4=CC=C(C=C4)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41958","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

4-deacetyltaxagifine iii

NA

C22H32O10 (456.1995)


{"Ingredient_id": "HBIN010310","Ingredient_name": "4-deacetyltaxagifine iii","Alias": "NA","Ingredient_formula": "C22H32O10","Ingredient_Smile": "CC(=O)OC1CC2C(CO2)(C3C1(C(=O)C(C4(C5(COC4(C(CC5C3O)O)C)C)O)O)C)O","Ingredient_weight": "456.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "4777","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101607468","DrugBank_id": "NA"}

   

3-[2-(4-hydroxy-3-{4-[2-(3-methoxyphenyl)ethyl]phenoxy}phenyl)ethyl]benzene-1,2-diol

3-[2-(4-hydroxy-3-{4-[2-(3-methoxyphenyl)ethyl]phenoxy}phenyl)ethyl]benzene-1,2-diol

C29H28O5 (456.1937)


   

{6-[2-(1,4-dihydroxycyclohexyl)ethoxy]-3,4,5-trihydroxyoxan-2-yl}methyl 2-(4-hydroxyphenyl)acetate

{6-[2-(1,4-dihydroxycyclohexyl)ethoxy]-3,4,5-trihydroxyoxan-2-yl}methyl 2-(4-hydroxyphenyl)acetate

C22H32O10 (456.1995)


   

13,15-dimethyl (1s,2r,6r,14s,15r,16r,18s,20s)-15-hydroxy-20-methoxy-17-oxa-3,13-diazaheptacyclo[12.6.2.0¹,¹⁶.0²,⁶.0³,¹⁸.0⁶,¹⁴.0⁷,¹²]docosa-7,9,11-triene-13,15-dicarboxylate

13,15-dimethyl (1s,2r,6r,14s,15r,16r,18s,20s)-15-hydroxy-20-methoxy-17-oxa-3,13-diazaheptacyclo[12.6.2.0¹,¹⁶.0²,⁶.0³,¹⁸.0⁶,¹⁴.0⁷,¹²]docosa-7,9,11-triene-13,15-dicarboxylate

C24H28N2O7 (456.1896)


   

methyl 1-{[(5-{[5-({[2-(methoxycarbonyl)pyrrolidin-1-yl]imino}methyl)furan-2-yl]methyl}furan-2-yl)methylidene]amino}pyrrolidine-2-carboxylate

methyl 1-{[(5-{[5-({[2-(methoxycarbonyl)pyrrolidin-1-yl]imino}methyl)furan-2-yl]methyl}furan-2-yl)methylidene]amino}pyrrolidine-2-carboxylate

C23H28N4O6 (456.2009)


   

5-[2-(3-hydroxyphenyl)ethyl]-2,4-bis[(4-hydroxyphenyl)methyl]-3-methoxyphenol

5-[2-(3-hydroxyphenyl)ethyl]-2,4-bis[(4-hydroxyphenyl)methyl]-3-methoxyphenol

C29H28O5 (456.1937)


   

2-[2-(4-{2-hydroxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy}phenyl)ethyl]benzene-1,4-diol

2-[2-(4-{2-hydroxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy}phenyl)ethyl]benzene-1,4-diol

C29H28O5 (456.1937)


   

5-[2-(3-hydroxyphenyl)ethyl]-3-{4-[2-(3-hydroxyphenyl)ethyl]phenoxy}-2-methoxyphenol

5-[2-(3-hydroxyphenyl)ethyl]-3-{4-[2-(3-hydroxyphenyl)ethyl]phenoxy}-2-methoxyphenol

C29H28O5 (456.1937)


   

23-hydroxy-17,18-dimethoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[10.8.3.2¹¹,¹⁴.0¹,¹³.0⁶,⁸.0⁶,²³.0¹⁵,²⁰]pentacosa-15(20),16,18-triene-21,24-dione

23-hydroxy-17,18-dimethoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[10.8.3.2¹¹,¹⁴.0¹,¹³.0⁶,⁸.0⁶,²³.0¹⁵,²⁰]pentacosa-15(20),16,18-triene-21,24-dione

C24H28N2O7 (456.1896)


   

[(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-{2-[(1s,4s)-1,4-dihydroxycyclohexyl]ethoxy}oxan-2-yl]methyl 2-(4-hydroxyphenyl)acetate

[(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-{2-[(1s,4s)-1,4-dihydroxycyclohexyl]ethoxy}oxan-2-yl]methyl 2-(4-hydroxyphenyl)acetate

C22H32O10 (456.1995)


   

(1s,6r,8r,11r,12r,13s,23s)-23-hydroxy-17,18-dimethoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[10.8.3.2¹¹,¹⁴.0¹,¹³.0⁶,⁸.0⁶,²³.0¹⁵,²⁰]pentacosa-15(20),16,18-triene-21,24-dione

(1s,6r,8r,11r,12r,13s,23s)-23-hydroxy-17,18-dimethoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[10.8.3.2¹¹,¹⁴.0¹,¹³.0⁶,⁸.0⁶,²³.0¹⁵,²⁰]pentacosa-15(20),16,18-triene-21,24-dione

C24H28N2O7 (456.1896)


   

(1r,2r,3r,5s,6r,9r,10r,11r,13s,14s,19s)-2,5,10,11,19-pentahydroxy-6,9,13-trimethyl-12-oxo-7,17-dioxapentacyclo[11.6.0.0³,⁹.0⁶,¹⁰.0¹⁶,¹⁹]nonadecan-14-yl acetate

(1r,2r,3r,5s,6r,9r,10r,11r,13s,14s,19s)-2,5,10,11,19-pentahydroxy-6,9,13-trimethyl-12-oxo-7,17-dioxapentacyclo[11.6.0.0³,⁹.0⁶,¹⁰.0¹⁶,¹⁹]nonadecan-14-yl acetate

C22H32O10 (456.1995)


   

2,21-dimethyl (1s,12r,19r,21s,24s)-21-hydroxy-5,7-dioxa-2,15-diazaheptacyclo[17.2.2.1¹²,¹⁵.0¹,¹².0³,¹¹.0⁴,⁸.0¹⁹,²⁴]tetracosa-3(11),4(8),9-triene-2,21-dicarboxylate

2,21-dimethyl (1s,12r,19r,21s,24s)-21-hydroxy-5,7-dioxa-2,15-diazaheptacyclo[17.2.2.1¹²,¹⁵.0¹,¹².0³,¹¹.0⁴,⁸.0¹⁹,²⁴]tetracosa-3(11),4(8),9-triene-2,21-dicarboxylate

C24H28N2O7 (456.1896)


   

2-(dec-8-en-4,6-diyn-1-yloxy)-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxane-3,4,5-triol

2-(dec-8-en-4,6-diyn-1-yloxy)-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxane-3,4,5-triol

C22H32O10 (456.1995)


   

methyl (2s)-1-{[(5-{[5-({[(2s)-2-(methoxycarbonyl)pyrrolidin-1-yl]imino}methyl)furan-2-yl]methyl}furan-2-yl)methylidene]amino}pyrrolidine-2-carboxylate

methyl (2s)-1-{[(5-{[5-({[(2s)-2-(methoxycarbonyl)pyrrolidin-1-yl]imino}methyl)furan-2-yl]methyl}furan-2-yl)methylidene]amino}pyrrolidine-2-carboxylate

C23H28N4O6 (456.2009)


   

2,5,10,11,19-pentahydroxy-6,9,13-trimethyl-12-oxo-7,17-dioxapentacyclo[11.6.0.0³,⁹.0⁶,¹⁰.0¹⁶,¹⁹]nonadecan-14-yl acetate

2,5,10,11,19-pentahydroxy-6,9,13-trimethyl-12-oxo-7,17-dioxapentacyclo[11.6.0.0³,⁹.0⁶,¹⁰.0¹⁶,¹⁹]nonadecan-14-yl acetate

C22H32O10 (456.1995)


   

(1r,2r,3r,5s,6r,9r,10r,11r,13s,14s,16r,19s)-2,5,10,11,19-pentahydroxy-6,9,13-trimethyl-12-oxo-7,17-dioxapentacyclo[11.6.0.0³,⁹.0⁶,¹⁰.0¹⁶,¹⁹]nonadecan-14-yl acetate

(1r,2r,3r,5s,6r,9r,10r,11r,13s,14s,16r,19s)-2,5,10,11,19-pentahydroxy-6,9,13-trimethyl-12-oxo-7,17-dioxapentacyclo[11.6.0.0³,⁹.0⁶,¹⁰.0¹⁶,¹⁹]nonadecan-14-yl acetate

C22H32O10 (456.1995)


   

2,21-dimethyl (12r,21s,24s)-21-hydroxy-5,7-dioxa-2,15-diazaheptacyclo[17.2.2.1¹²,¹⁵.0¹,¹².0³,¹¹.0⁴,⁸.0¹⁹,²⁴]tetracosa-3(11),4(8),9-triene-2,21-dicarboxylate

2,21-dimethyl (12r,21s,24s)-21-hydroxy-5,7-dioxa-2,15-diazaheptacyclo[17.2.2.1¹²,¹⁵.0¹,¹².0³,¹¹.0⁴,⁸.0¹⁹,²⁴]tetracosa-3(11),4(8),9-triene-2,21-dicarboxylate

C24H28N2O7 (456.1896)


   

4-hydroxy-3-(methoxymethyl)-6,9-dimethylidene-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-octahydro-3h-azuleno[4,5-b]furan-2-one

4-hydroxy-3-(methoxymethyl)-6,9-dimethylidene-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-octahydro-3h-azuleno[4,5-b]furan-2-one

C22H32O10 (456.1995)


   

3-[2-(3-hydroxyphenyl)ethyl]-2,6-bis[(4-hydroxyphenyl)methyl]-5-methoxyphenol

3-[2-(3-hydroxyphenyl)ethyl]-2,6-bis[(4-hydroxyphenyl)methyl]-5-methoxyphenol

C29H28O5 (456.1937)


   

5,13,17,19-tetrahydroxy-22,22-dimethyl-7-pentylpentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁶,²¹]docosa-1,3(12),4(9),5,7,10,13,16,18,20-decaen-15-one

5,13,17,19-tetrahydroxy-22,22-dimethyl-7-pentylpentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁶,²¹]docosa-1,3(12),4(9),5,7,10,13,16,18,20-decaen-15-one

C29H28O5 (456.1937)


   

[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-({2-[(4s)-4-hydroxycyclohex-1-en-1-yl]acetyl}oxy)oxan-2-yl]methyl 2-[(4s)-4-hydroxycyclohex-1-en-1-yl]acetate

[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-({2-[(4s)-4-hydroxycyclohex-1-en-1-yl]acetyl}oxy)oxan-2-yl]methyl 2-[(4s)-4-hydroxycyclohex-1-en-1-yl]acetate

C22H32O10 (456.1995)


   

3-[2-(3-hydroxyphenyl)ethyl]-2,4-bis[(4-hydroxyphenyl)methyl]-5-methoxyphenol

3-[2-(3-hydroxyphenyl)ethyl]-2,4-bis[(4-hydroxyphenyl)methyl]-5-methoxyphenol

C29H28O5 (456.1937)