Exact Mass: 421.183

Exact Mass Matches: 421.183

Found 127 metabolites which its exact mass value is equals to given mass value 421.183, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Latrunculin A

(4R)-4-[(1R,4E,8Z,10E,12S,15R,17R)-17-hydroxy-5,12-dimethyl-3-oxo-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-17-yl]-1,3-thiazolidin-2-one

C22H31NO5S (421.1923)


A bicyclic macrolide natural product consisting of a 16-membered bicyclic lactone attached to the rare 2-thiazolidinone moiety. It is obtained from the Red Sea sponge Latrunculia magnifica and from the Fiji Islands sponge Cacospongia mycofijiensis. Latrunculin A inhibits actin polymerisation, microfilament organsation and microfilament-mediated processes.

   

4-Hydroxytoremifene

4-(4-chloro-1-{4-[2-(dimethylamino)ethoxy]phenyl}-2-phenylbut-1-en-1-yl)phenol

C26H28ClNO2 (421.1808)


   

latrunculin a

4-{17-hydroxy-5,12-dimethyl-3-oxo-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-17-yl}-1,3-thiazolidin-2-one

C22H31NO5S (421.1923)


   

Linsitinib

3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol

C26H23N5O (421.1903)


C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor

   

Dehydrodecodine

Dehydrodecodine

C25H27NO5 (421.1889)


   
   
   

Linsitinib

OSI-906(Linsitinib)

C26H23N5O (421.1903)


C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor

   

Roquefortine M

Roquefortine M

C22H23N5O4 (421.175)


CONFIDENCE Penicillium bissettii

   

Ancistrocladidine

Ancistrocladidine

C25H27NO5 (421.1889)


   

N-[4-[3-(4-Oxo-5,5-dimethyl-4,5-dihydrofuran-2-yl)butoxy]phenethyl]-3-(methylsulfinyl)propanamide

N-[4-[3-(4-Oxo-5,5-dimethyl-4,5-dihydrofuran-2-yl)butoxy]phenethyl]-3-(methylsulfinyl)propanamide

C22H31NO5S (421.1923)


   

(E)-3-(methylsulfonyl)-propenoic acid (2E,6E)-4-(8-hydroxy-3,7-dimethyl-2,6-octadienyloxy)-phenethyl amide|gerambullol

(E)-3-(methylsulfonyl)-propenoic acid (2E,6E)-4-(8-hydroxy-3,7-dimethyl-2,6-octadienyloxy)-phenethyl amide|gerambullol

C22H31NO5S (421.1923)


   
   

apo latrunculin T

apo latrunculin T

C22H31NO5S (421.1923)


A natural product found in Cacospongia mycofijiensis.

   

SCHEMBL13103365

SCHEMBL13103365

C25H27NO5 (421.1889)


   

(+)-karakoramine|Karakoramine

(+)-karakoramine|Karakoramine

C25H27NO5 (421.1889)


   

Ancistrocladisine

Ancistrocladisine

C25H27NO5 (421.1889)


   

??-Hydroxygerambullin

??-Hydroxygerambullin

C22H31NO5S (421.1923)


   
   

6-methyl-propionate-alstonine

6-methyl-propionate-alstonine

[C24H25N2O5]+ (421.1763)


   

Cys Gly Arg Ser

(2S)-2-[(2S)-2-{2-[(2R)-2-amino-3-sulfanylpropanamido]acetamido}-5-carbamimidamidopentanamido]-3-hydroxypropanoic acid

C14H27N7O6S (421.1743)


   

Cys Gly Ser Arg

(2S)-2-[(2S)-2-{2-[(2R)-2-amino-3-sulfanylpropanamido]acetamido}-3-hydroxypropanamido]-5-carbamimidamidopentanoic acid

C14H27N7O6S (421.1743)


   

Cys Arg Gly Ser

(2S)-2-{2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-5-carbamimidamidopentanamido]acetamido}-3-hydroxypropanoic acid

C14H27N7O6S (421.1743)


   

Cys Arg Ser Gly

2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-5-carbamimidamidopentanamido]-3-hydroxypropanamido]acetic acid

C14H27N7O6S (421.1743)


   

Cys Ser Gly Arg

(2S)-2-{2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-hydroxypropanamido]acetamido}-5-carbamimidamidopentanoic acid

C14H27N7O6S (421.1743)


   

Cys Ser Arg Gly

2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-hydroxypropanamido]-5-carbamimidamidopentanamido]acetic acid

C14H27N7O6S (421.1743)


   

Gly Cys Arg Ser

(2S)-2-[(2S)-2-[(2R)-2-(2-aminoacetamido)-3-sulfanylpropanamido]-5-carbamimidamidopentanamido]-3-hydroxypropanoic acid

C14H27N7O6S (421.1743)


   

Gly Cys Ser Arg

(2S)-2-[(2S)-2-[(2R)-2-(2-aminoacetamido)-3-sulfanylpropanamido]-3-hydroxypropanamido]-5-carbamimidamidopentanoic acid

C14H27N7O6S (421.1743)


   

Gly Arg Cys Ser

(2S)-2-[(2R)-2-[(2S)-2-(2-aminoacetamido)-5-carbamimidamidopentanamido]-3-sulfanylpropanamido]-3-hydroxypropanoic acid

C14H27N7O6S (421.1743)


   

Gly Arg Ser Cys

(2R)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-5-carbamimidamidopentanamido]-3-hydroxypropanamido]-3-sulfanylpropanoic acid

C14H27N7O6S (421.1743)


   

Gly Ser Cys Arg

(2S)-2-[(2R)-2-[(2S)-2-(2-aminoacetamido)-3-hydroxypropanamido]-3-sulfanylpropanamido]-5-carbamimidamidopentanoic acid

C14H27N7O6S (421.1743)


   

Gly Ser Arg Cys

(2R)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-hydroxypropanamido]-5-carbamimidamidopentanamido]-3-sulfanylpropanoic acid

C14H27N7O6S (421.1743)


   

Asn Ser Thr Thr

(2S,3R)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-hydroxypropanamido]-3-hydroxybutanamido]-3-hydroxybutanoic acid

C15H27N5O9 (421.1809)


   

Asn Thr Ser Thr

(2S,3R)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-hydroxybutanamido]-3-hydroxypropanamido]-3-hydroxybutanoic acid

C15H27N5O9 (421.1809)


   

Asn Thr Thr Ser

(2S)-2-[(2S,3R)-2-[(2S,3R)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-hydroxybutanamido]-3-hydroxybutanamido]-3-hydroxypropanoic acid

C15H27N5O9 (421.1809)


   

Gln Ser Ser Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-hydroxypropanamido]-3-hydroxypropanamido]-3-hydroxybutanoic acid

C15H27N5O9 (421.1809)


   

Gln Ser Thr Ser

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-hydroxypropanamido]-3-hydroxybutanamido]-3-hydroxypropanoic acid

C15H27N5O9 (421.1809)


   

Gln Thr Ser Ser

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-hydroxybutanamido]-3-hydroxypropanamido]-3-hydroxypropanoic acid

C15H27N5O9 (421.1809)


   

Arg Cys Gly Ser

(2S)-2-{2-[(2R)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-sulfanylpropanamido]acetamido}-3-hydroxypropanoic acid

C14H27N7O6S (421.1743)


   

Arg Cys Ser Gly

2-[(2S)-2-[(2R)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-sulfanylpropanamido]-3-hydroxypropanamido]acetic acid

C14H27N7O6S (421.1743)


   

Arg Gly Cys Ser

(2S)-2-[(2R)-2-{2-[(2S)-2-amino-5-carbamimidamidopentanamido]acetamido}-3-sulfanylpropanamido]-3-hydroxypropanoic acid

C14H27N7O6S (421.1743)


   

Arg Gly Ser Cys

(2R)-2-[(2S)-2-{2-[(2S)-2-amino-5-carbamimidamidopentanamido]acetamido}-3-hydroxypropanamido]-3-sulfanylpropanoic acid

C14H27N7O6S (421.1743)


   

Arg Ser Cys Gly

2-[(2R)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-hydroxypropanamido]-3-sulfanylpropanamido]acetic acid

C14H27N7O6S (421.1743)


   

Arg Ser Gly Cys

(2R)-2-{2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-hydroxypropanamido]acetamido}-3-sulfanylpropanoic acid

C14H27N7O6S (421.1743)


   

Ser Cys Gly Arg

(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-sulfanylpropanamido]acetamido}-5-carbamimidamidopentanoic acid

C14H27N7O6S (421.1743)


   

Ser Cys Arg Gly

2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-sulfanylpropanamido]-5-carbamimidamidopentanamido]acetic acid

C14H27N7O6S (421.1743)


   

Ser Gly Cys Arg

(2S)-2-[(2R)-2-{2-[(2S)-2-amino-3-hydroxypropanamido]acetamido}-3-sulfanylpropanamido]-5-carbamimidamidopentanoic acid

C14H27N7O6S (421.1743)


   

Ser Gly Arg Cys

(2R)-2-[(2S)-2-{2-[(2S)-2-amino-3-hydroxypropanamido]acetamido}-5-carbamimidamidopentanamido]-3-sulfanylpropanoic acid

C14H27N7O6S (421.1743)


   

Ser Asn Thr Thr

(2S,3R)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-carbamoylpropanamido]-3-hydroxybutanamido]-3-hydroxybutanoic acid

C15H27N5O9 (421.1809)


   

Ser Gln Ser Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-4-carbamoylbutanamido]-3-hydroxypropanamido]-3-hydroxybutanoic acid

C15H27N5O9 (421.1809)


   

Ser Gln Thr Ser

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-4-carbamoylbutanamido]-3-hydroxybutanamido]-3-hydroxypropanoic acid

C15H27N5O9 (421.1809)


   

Ser Arg Cys Gly

2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-5-carbamimidamidopentanamido]-3-sulfanylpropanamido]acetic acid

C14H27N7O6S (421.1743)


   

Ser Arg Gly Cys

(2R)-2-{2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-5-carbamimidamidopentanamido]acetamido}-3-sulfanylpropanoic acid

C14H27N7O6S (421.1743)


   

Ser Ser Gln Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-hydroxypropanamido]-4-carbamoylbutanamido]-3-hydroxybutanoic acid

C15H27N5O9 (421.1809)


   

Ser Ser Thr Gln

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-hydroxypropanamido]-3-hydroxybutanamido]-4-carbamoylbutanoic acid

C15H27N5O9 (421.1809)


   

Ser Thr Asn Thr

(2S,3R)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-hydroxybutanamido]-3-carbamoylpropanamido]-3-hydroxybutanoic acid

C15H27N5O9 (421.1809)


   

Ser Thr Gln Ser

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-hydroxybutanamido]-4-carbamoylbutanamido]-3-hydroxypropanoic acid

C15H27N5O9 (421.1809)


   

Ser Thr Ser Gln

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-hydroxybutanamido]-3-hydroxypropanamido]-4-carbamoylbutanoic acid

C15H27N5O9 (421.1809)


   

Ser Thr Thr Asn

(2S)-2-[(2S,3R)-2-[(2S,3R)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-hydroxybutanamido]-3-hydroxybutanamido]-3-carbamoylpropanoic acid

C15H27N5O9 (421.1809)


   

Thr Asn Ser Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-carbamoylpropanamido]-3-hydroxypropanamido]-3-hydroxybutanoic acid

C15H27N5O9 (421.1809)


   

Thr Asn Thr Ser

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-carbamoylpropanamido]-3-hydroxybutanamido]-3-hydroxypropanoic acid

C15H27N5O9 (421.1809)


   

Thr Gln Ser Ser

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-4-carbamoylbutanamido]-3-hydroxypropanamido]-3-hydroxypropanoic acid

C15H27N5O9 (421.1809)


   

Thr Ser Asn Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-hydroxypropanamido]-3-carbamoylpropanamido]-3-hydroxybutanoic acid

C15H27N5O9 (421.1809)


   

Thr Ser Gln Ser

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-hydroxypropanamido]-4-carbamoylbutanamido]-3-hydroxypropanoic acid

C15H27N5O9 (421.1809)


   

Thr Ser Ser Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-hydroxypropanamido]-3-hydroxypropanamido]-4-carbamoylbutanoic acid

C15H27N5O9 (421.1809)


   

Thr Ser Thr Asn

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-hydroxypropanamido]-3-hydroxybutanamido]-3-carbamoylpropanoic acid

C15H27N5O9 (421.1809)


   

Thr Thr Asn Ser

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-hydroxybutanamido]-3-carbamoylpropanamido]-3-hydroxypropanoic acid

C15H27N5O9 (421.1809)


   

Thr Thr Ser Asn

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-hydroxybutanamido]-3-hydroxypropanamido]-3-carbamoylpropanoic acid

C15H27N5O9 (421.1809)


   

FIPI

N-[2-[4-(2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)-1-piperidinyl]ethyl]-5-fluoro-1H-indole-2-carboxamide

C23H24FN5O2 (421.1914)


FIPI (5-Fluoro-2-indolyl des-chlorohalopemide), a derivative of Halopemide (HY-119093), is a phospholipase D (PLD) inhibitor with IC50s of approximately 25 nM and 20 nM for PLD1 and PLD2, respectively. FIPI inhibits PLD regulation of F-actin cytoskeleton reorganization, cell spreading, and chemotaxis. FIPI has the potential for autoimmunity and cancer metastasis research[1][2][3].

   

bamifylline hydrochloride

bamifylline hydrochloride

C20H28ClN5O3 (421.1881)


   

1-Methyl-2-(tributylstannyl)-1H-indole

1-Methyl-2-(tributylstannyl)-1H-indole

C21H35NSn (421.1791)


   

4-(Naphthalenyl)-N-[4-(1-naphthalenyl)phenyl]benzenamine

4-(Naphthalenyl)-N-[4-(1-naphthalenyl)phenyl]benzenamine

C32H23N (421.183)


   

(2-{4-[(E)-2-Chloro-1,2-diphenylvinyl]phenoxy}ethyl)diethylamine oxide

(2-{4-[(E)-2-Chloro-1,2-diphenylvinyl]phenoxy}ethyl)diethylamine oxide

C26H28ClNO2 (421.1808)


   

(E)-4-Hydroxytoremifene

(E)-4-Hydroxytoremifene

C26H28ClNO2 (421.1808)


   

N~3~-[5-(1h-Indol-6-Yl)-2-(Pyridin-2-Ylmethoxy)benzyl]pyridine-2,3-Diamine

N~3~-[5-(1h-Indol-6-Yl)-2-(Pyridin-2-Ylmethoxy)benzyl]pyridine-2,3-Diamine

C26H23N5O (421.1903)


   

(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-(1-hydroxy-3-methylhexan-3-yl)sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-(1-hydroxy-3-methylhexan-3-yl)sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

C17H31N3O7S (421.1883)


   

4-[(4Z,8E,10Z)-17-hydroxy-5,12-dimethyl-3-oxo-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-17-yl]-1,3-thiazolidin-2-one

4-[(4Z,8E,10Z)-17-hydroxy-5,12-dimethyl-3-oxo-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-17-yl]-1,3-thiazolidin-2-one

C22H31NO5S (421.1923)


   

5-fluoro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1H-indole-2-carboxamide

5-fluoro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1H-indole-2-carboxamide

C23H24FN5O2 (421.1914)


FIPI (5-Fluoro-2-indolyl des-chlorohalopemide), a derivative of Halopemide (HY-119093), is a phospholipase D (PLD) inhibitor with IC50s of approximately 25 nM and 20 nM for PLD1 and PLD2, respectively. FIPI inhibits PLD regulation of F-actin cytoskeleton reorganization, cell spreading, and chemotaxis. FIPI has the potential for autoimmunity and cancer metastasis research[1][2][3].

   

3-[[4-[6-(4-Morpholinyl)-3-pyridazinyl]-1-piperazinyl]-oxomethyl]-1-benzopyran-2-one

3-[[4-[6-(4-Morpholinyl)-3-pyridazinyl]-1-piperazinyl]-oxomethyl]-1-benzopyran-2-one

C22H23N5O4 (421.175)


   

{2-[N-(4-Dimethylamino-benzylidene)-hydrazino]-6-methyl-5-nitro-pyrimidin-4-yl}-(4-methoxy-phenyl)-amine

{2-[N-(4-Dimethylamino-benzylidene)-hydrazino]-6-methyl-5-nitro-pyrimidin-4-yl}-(4-methoxy-phenyl)-amine

C21H23N7O3 (421.1862)


   

Ascofuranol(1-)

Ascofuranol(1-)

C23H30ClO5- (421.1782)


A phenolate anion resulting from the deprotonation of the hydroxy group that is para- to the aldehyde group of ascofuranol. The major species at pH 7.3.

   

16-hydroxy-ilicicolin A epoxide

16-hydroxy-ilicicolin A epoxide

C23H30ClO5- (421.1782)


   

(3S,6aR,8R,10aR)-N-(1,3-benzodioxol-5-yl)-3-hydroxy-8-[2-(methylamino)-2-oxoethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide

(3S,6aR,8R,10aR)-N-(1,3-benzodioxol-5-yl)-3-hydroxy-8-[2-(methylamino)-2-oxoethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide

C20H27N3O7 (421.1849)


   

1-[(2R,3R,6R)-6-[2-(4-cyclopropyl-1-triazolyl)ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(2,5-difluorophenyl)urea

1-[(2R,3R,6R)-6-[2-(4-cyclopropyl-1-triazolyl)ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(2,5-difluorophenyl)urea

C20H25F2N5O3 (421.1925)


   

1-[(2R,3S,6S)-6-[2-(4-cyclopropyltriazol-1-yl)ethyl]-2-(hydroxymethyl)oxan-3-yl]-3-(2,5-difluorophenyl)urea

1-[(2R,3S,6S)-6-[2-(4-cyclopropyltriazol-1-yl)ethyl]-2-(hydroxymethyl)oxan-3-yl]-3-(2,5-difluorophenyl)urea

C20H25F2N5O3 (421.1925)


   

1-[(2R,3R,6S)-6-[2-(4-cyclopropyl-1-triazolyl)ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(2,5-difluorophenyl)urea

1-[(2R,3R,6S)-6-[2-(4-cyclopropyl-1-triazolyl)ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(2,5-difluorophenyl)urea

C20H25F2N5O3 (421.1925)


   

1-[(2S,3R,6S)-6-[2-(4-cyclopropyl-1-triazolyl)ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(2,5-difluorophenyl)urea

1-[(2S,3R,6S)-6-[2-(4-cyclopropyl-1-triazolyl)ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(2,5-difluorophenyl)urea

C20H25F2N5O3 (421.1925)


   

1-[(2S,3S,6R)-6-[2-(4-cyclopropyl-1-triazolyl)ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(2,5-difluorophenyl)urea

1-[(2S,3S,6R)-6-[2-(4-cyclopropyl-1-triazolyl)ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(2,5-difluorophenyl)urea

C20H25F2N5O3 (421.1925)


   

1-[(2S,3R,6R)-6-[2-(4-cyclopropyltriazol-1-yl)ethyl]-2-(hydroxymethyl)oxan-3-yl]-3-(2,5-difluorophenyl)urea

1-[(2S,3R,6R)-6-[2-(4-cyclopropyltriazol-1-yl)ethyl]-2-(hydroxymethyl)oxan-3-yl]-3-(2,5-difluorophenyl)urea

C20H25F2N5O3 (421.1925)


   

1-[(2S,3S,6S)-6-[2-(4-cyclopropyltriazol-1-yl)ethyl]-2-(hydroxymethyl)oxan-3-yl]-3-(2,5-difluorophenyl)urea

1-[(2S,3S,6S)-6-[2-(4-cyclopropyltriazol-1-yl)ethyl]-2-(hydroxymethyl)oxan-3-yl]-3-(2,5-difluorophenyl)urea

C20H25F2N5O3 (421.1925)


   

1-[(2R,3S,6R)-6-[2-(4-cyclopropyl-1-triazolyl)ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(2,5-difluorophenyl)urea

1-[(2R,3S,6R)-6-[2-(4-cyclopropyl-1-triazolyl)ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(2,5-difluorophenyl)urea

C20H25F2N5O3 (421.1925)


   

1-Chloro-4-[4-[2-(dimethylamino)ethoxy]phenyl]-3,4-diphenylbut-3-en-2-ol

1-Chloro-4-[4-[2-(dimethylamino)ethoxy]phenyl]-3,4-diphenylbut-3-en-2-ol

C26H28ClNO2 (421.1808)


   

(2-{4-[3-(2-Chloroethyl)-2,3-diphenyloxiran-2-yl]phenoxy}ethyl)dimethylamine

(2-{4-[3-(2-Chloroethyl)-2,3-diphenyloxiran-2-yl]phenoxy}ethyl)dimethylamine

C26H28ClNO2 (421.1808)


   

(E,8R)-8-[(2R,3R,5R,6S)-3-hydroxy-5-(4-hydroxybenzoyl)oxy-6-methyloxan-2-yl]oxynon-2-enoate

(E,8R)-8-[(2R,3R,5R,6S)-3-hydroxy-5-(4-hydroxybenzoyl)oxy-6-methyloxan-2-yl]oxynon-2-enoate

C22H29O8- (421.1862)


   

6-methyl-propionate-alstonine

6-methyl-propionate-alstonine

C24H25N2O5+ (421.1763)


   
   
   

ST 19:4;O6;Gly

ST 19:4;O6;Gly

C21H27NO8 (421.1737)


   
   

TAK-071

TAK-071

C24H24FN3O3 (421.1802)


TAK-071 is a novel, potent and highly selective muscarinic acetylcholine receptor 1 (M1R) positive allosteric modulator. EC50 of TAK-071 M1R agonist activities is 520 nM[1].

   

(2e)-n-[2-(4-{[(2e)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-3-hydroxyphenyl)ethyl]-3-methanesulfonylprop-2-enimidic acid

(2e)-n-[2-(4-{[(2e)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-3-hydroxyphenyl)ethyl]-3-methanesulfonylprop-2-enimidic acid

C22H31NO5S (421.1923)


   

(1r,4z,8e,10z,12s,15r,17r)-17-hydroxy-17-[(4s)-2-hydroxy-4,5-dihydro-1,3-thiazol-4-yl]-5,12-dimethyl-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-3-one

(1r,4z,8e,10z,12s,15r,17r)-17-hydroxy-17-[(4s)-2-hydroxy-4,5-dihydro-1,3-thiazol-4-yl]-5,12-dimethyl-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-3-one

C22H31NO5S (421.1923)


   

n-(2-{4-[(3s)-3-(5,5-dimethyl-4-oxofuran-2-yl)butoxy]phenyl}ethyl)-3-[(r)-methanesulfinyl]propanimidic acid

n-(2-{4-[(3s)-3-(5,5-dimethyl-4-oxofuran-2-yl)butoxy]phenyl}ethyl)-3-[(r)-methanesulfinyl]propanimidic acid

C22H31NO5S (421.1923)


   

20-butoxy-17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaene

20-butoxy-17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaene

C25H27NO5 (421.1889)


   

17-hydroxy-17-(2-hydroxy-4,5-dihydro-1,3-thiazol-4-yl)-5,12-dimethyl-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-3-one

17-hydroxy-17-(2-hydroxy-4,5-dihydro-1,3-thiazol-4-yl)-5,12-dimethyl-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-3-one

C22H31NO5S (421.1923)


   

β-hydroxygerambullin

NA

C22H31NO5S (421.1923)


{"Ingredient_id": "HBIN018157","Ingredient_name": "\u03b2-hydroxygerambullin","Alias": "NA","Ingredient_formula": "C22H31NO5S","Ingredient_Smile": "CC(=CCCC(=CCOC1=CC=C(C=C1)C(CNC(=O)C=CS(=O)(=O)C)O)C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10138","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

(2e)-n-[2-(4-{[(2e)-3,7-dimethylocta-2,6-dien-1-yl]oxy}phenyl)-2-hydroxyethyl]-3-methanesulfonylprop-2-enimidic acid

(2e)-n-[2-(4-{[(2e)-3,7-dimethylocta-2,6-dien-1-yl]oxy}phenyl)-2-hydroxyethyl]-3-methanesulfonylprop-2-enimidic acid

C22H31NO5S (421.1923)


   

3-(8,10-dimethyldodeca-2,4,6,8-tetraenoyl)-1,4-dihydroxy-5-(4-hydroxyphenyl)pyridin-2-one

3-(8,10-dimethyldodeca-2,4,6,8-tetraenoyl)-1,4-dihydroxy-5-(4-hydroxyphenyl)pyridin-2-one

C25H27NO5 (421.1889)


   

n-(2-{4-[(8-hydroxy-3,7-dimethylocta-2,6-dien-1-yl)oxy]phenyl}ethyl)-3-methanesulfonylprop-2-enimidic acid

n-(2-{4-[(8-hydroxy-3,7-dimethylocta-2,6-dien-1-yl)oxy]phenyl}ethyl)-3-methanesulfonylprop-2-enimidic acid

C22H31NO5S (421.1923)


   

3-[(2e,4e,6e,8e)-8,10-dimethyldodeca-2,4,6,8-tetraenoyl]-1,4-dihydroxy-5-(4-hydroxyphenyl)pyridin-2-one

3-[(2e,4e,6e,8e)-8,10-dimethyldodeca-2,4,6,8-tetraenoyl]-1,4-dihydroxy-5-(4-hydroxyphenyl)pyridin-2-one

C25H27NO5 (421.1889)


   

n-(2-{4-[(3,7-dimethylocta-2,6-dien-1-yl)oxy]phenyl}-2-hydroxyethyl)-3-methanesulfonylprop-2-enimidic acid

n-(2-{4-[(3,7-dimethylocta-2,6-dien-1-yl)oxy]phenyl}-2-hydroxyethyl)-3-methanesulfonylprop-2-enimidic acid

C22H31NO5S (421.1923)


   

n-(2-{4-[3-(5,5-dimethyl-4-oxofuran-2-yl)butoxy]phenyl}ethyl)-3-methanesulfinylpropanimidic acid

n-(2-{4-[3-(5,5-dimethyl-4-oxofuran-2-yl)butoxy]phenyl}ethyl)-3-methanesulfinylpropanimidic acid

C22H31NO5S (421.1923)


   

(1s,13z,17s,19s)-6,9-dihydroxy-5-methoxy-16-oxa-24-azapentacyclo[15.7.1.1⁸,¹².0²,⁷.0¹⁹,²⁴]hexacosa-2,4,6,8(26),9,11,13-heptaen-15-one

(1s,13z,17s,19s)-6,9-dihydroxy-5-methoxy-16-oxa-24-azapentacyclo[15.7.1.1⁸,¹².0²,⁷.0¹⁹,²⁴]hexacosa-2,4,6,8(26),9,11,13-heptaen-15-one

C25H27NO5 (421.1889)


   

4,9-dihydroxy-5-methoxy-16-oxa-24-azapentacyclo[15.7.1.1⁸,¹².0²,⁷.0¹⁹,²⁴]hexacosa-2(7),3,5,8(26),9,11,13-heptaen-15-one

4,9-dihydroxy-5-methoxy-16-oxa-24-azapentacyclo[15.7.1.1⁸,¹².0²,⁷.0¹⁹,²⁴]hexacosa-2(7),3,5,8(26),9,11,13-heptaen-15-one

C25H27NO5 (421.1889)


   

(1s,13z,17s,19r)-4,9-dihydroxy-5-methoxy-16-oxa-24-azapentacyclo[15.7.1.1⁸,¹².0²,⁷.0¹⁹,²⁴]hexacosa-2(7),3,5,8(26),9,11,13-heptaen-15-one

(1s,13z,17s,19r)-4,9-dihydroxy-5-methoxy-16-oxa-24-azapentacyclo[15.7.1.1⁸,¹².0²,⁷.0¹⁹,²⁴]hexacosa-2(7),3,5,8(26),9,11,13-heptaen-15-one

C25H27NO5 (421.1889)


   

3-[(2e,4e,6e,8e,10r)-8,10-dimethyldodeca-2,4,6,8-tetraenoyl]-1,4-dihydroxy-5-(4-hydroxyphenyl)pyridin-2-one

3-[(2e,4e,6e,8e,10r)-8,10-dimethyldodeca-2,4,6,8-tetraenoyl]-1,4-dihydroxy-5-(4-hydroxyphenyl)pyridin-2-one

C25H27NO5 (421.1889)


   

n-(2-{4-[(3,7-dimethylocta-2,6-dien-1-yl)oxy]-3-hydroxyphenyl}ethyl)-3-methanesulfonylprop-2-enimidic acid

n-(2-{4-[(3,7-dimethylocta-2,6-dien-1-yl)oxy]-3-hydroxyphenyl}ethyl)-3-methanesulfonylprop-2-enimidic acid

C22H31NO5S (421.1923)


   

1-({4-[2-hydroxy-5-(hydroxymethyl)phenoxy]phenyl}methyl)-6-methoxy-2-methyl-3,4-dihydro-1h-isoquinolin-7-ol

1-({4-[2-hydroxy-5-(hydroxymethyl)phenoxy]phenyl}methyl)-6-methoxy-2-methyl-3,4-dihydro-1h-isoquinolin-7-ol

C25H27NO5 (421.1889)


   

(20r)-20-butoxy-17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaene

(20r)-20-butoxy-17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaene

C25H27NO5 (421.1889)


   

(1s,13z,17s,19r)-6,9-dihydroxy-5-methoxy-16-oxa-24-azapentacyclo[15.7.1.1⁸,¹².0²,⁷.0¹⁹,²⁴]hexacosa-2,4,6,8(26),9,11,13-heptaen-15-one

(1s,13z,17s,19r)-6,9-dihydroxy-5-methoxy-16-oxa-24-azapentacyclo[15.7.1.1⁸,¹².0²,⁷.0¹⁹,²⁴]hexacosa-2,4,6,8(26),9,11,13-heptaen-15-one

C25H27NO5 (421.1889)


   

(1r,4z,12s,15r,17r)-17-hydroxy-17-[(4r)-2-hydroxy-4,5-dihydro-1,3-thiazol-4-yl]-5,12-dimethyl-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-3-one

(1r,4z,12s,15r,17r)-17-hydroxy-17-[(4r)-2-hydroxy-4,5-dihydro-1,3-thiazol-4-yl]-5,12-dimethyl-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-3-one

C22H31NO5S (421.1923)


   

(2e)-n-[(2r)-2-(4-{[(2e)-3,7-dimethylocta-2,6-dien-1-yl]oxy}phenyl)-2-hydroxyethyl]-3-methanesulfonylprop-2-enimidic acid

(2e)-n-[(2r)-2-(4-{[(2e)-3,7-dimethylocta-2,6-dien-1-yl]oxy}phenyl)-2-hydroxyethyl]-3-methanesulfonylprop-2-enimidic acid

C22H31NO5S (421.1923)


   

(2e)-n-[2-(4-{[(2e,6e)-8-hydroxy-3,7-dimethylocta-2,6-dien-1-yl]oxy}phenyl)ethyl]-3-methanesulfonylprop-2-enimidic acid

(2e)-n-[2-(4-{[(2e,6e)-8-hydroxy-3,7-dimethylocta-2,6-dien-1-yl]oxy}phenyl)ethyl]-3-methanesulfonylprop-2-enimidic acid

C22H31NO5S (421.1923)


   

6,9-dihydroxy-5-methoxy-16-oxa-24-azapentacyclo[15.7.1.1⁸,¹².0²,⁷.0¹⁹,²⁴]hexacosa-2,4,6,8(26),9,11,13-heptaen-15-one

6,9-dihydroxy-5-methoxy-16-oxa-24-azapentacyclo[15.7.1.1⁸,¹².0²,⁷.0¹⁹,²⁴]hexacosa-2,4,6,8(26),9,11,13-heptaen-15-one

C25H27NO5 (421.1889)


   

(1s,10z,12s,15r,17r)-17-hydroxy-17-[(4s)-2-hydroxy-4,5-dihydro-1,3-thiazol-4-yl]-5,12-dimethyl-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-3-one

(1s,10z,12s,15r,17r)-17-hydroxy-17-[(4s)-2-hydroxy-4,5-dihydro-1,3-thiazol-4-yl]-5,12-dimethyl-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-3-one

C22H31NO5S (421.1923)


   

(1r,4z,8e,10z,12s,15r,17r)-17-hydroxy-17-[(4r)-2-hydroxy-4,5-dihydro-1,3-thiazol-4-yl]-5,12-dimethyl-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-3-one

(1r,4z,8e,10z,12s,15r,17r)-17-hydroxy-17-[(4r)-2-hydroxy-4,5-dihydro-1,3-thiazol-4-yl]-5,12-dimethyl-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-3-one

C22H31NO5S (421.1923)


   

(1s,13z,17s,19s)-4,9-dihydroxy-5-methoxy-16-oxa-24-azapentacyclo[15.7.1.1⁸,¹².0²,⁷.0¹⁹,²⁴]hexacosa-2(7),3,5,8(26),9,11,13-heptaen-15-one

(1s,13z,17s,19s)-4,9-dihydroxy-5-methoxy-16-oxa-24-azapentacyclo[15.7.1.1⁸,¹².0²,⁷.0¹⁹,²⁴]hexacosa-2(7),3,5,8(26),9,11,13-heptaen-15-one

C25H27NO5 (421.1889)