Exact Mass: 412.1823066
Exact Mass Matches: 412.1823066
Found 209 metabolites which its exact mass value is equals to given mass value 412.1823066
,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Bisindolylmaleimide i
C25H24N4O2 (412.18991639999996)
GF 109203X
C25H24N4O2 (412.18991639999996)
D000893 - Anti-Inflammatory Agents D004791 - Enzyme Inhibitors
17-Hydroxypregnenolone sulfate
17-Hydroxypregnenolone sulfate is a precursor steroid. 17-Hydroxypregnenolone is a C21 steroid that is obtained by hydroxylation of pregnenolone at the C17 alpha position.17-Hydroxypregnenolone is considered a prohormone in the formation of dehydroepiandrosterone (DHEA), itself a prohormone of the sex steroids (Wikipedia). 17-Hydroxypregnenolone sulfate is a precursor steroid. 17-Hydroxypregnenolone is a C21 steroid that is obtained by hydroxylation of pregnenolone at the C17 alpha position.17-Hydroxypregnenolone is considered a prohormone in the formation of dehydroepiandrosterone (DHEA), itself a prohormone of the sex steroids [HMDB] D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Cinalukast
C23H28N2O3S (412.18205380000006)
Used in the treatment of asthma, cinalukast selectively antagonizes leukotriene D4 (LTD4) at the cysteinyl leukotriene receptor, CysLT1, in the human airway. Cinalukast inhibits the actions of LTD4 at the CysLT1 receptor, preventing airway edema, smooth muscle contraction, and enhanced secretion of thick, viscous mucus. C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent
17-Hydroxypregnenolone 3-sulfate
Brucein E
3-Acetoxy-5-(2-(dimethylamino)ethyl)-2,3-dihydro-8-methyl-2-(4-methylphenyl)-1,5-benzothiazepin-4(5H)-one
C23H28N2O3S (412.18205380000006)
Trachyspic acid
An oxaspiro compound that is 1,6-dioxaspiro[4.4]non-2-en-4-one substituted by a carboxymethyl group at position 2, carboxy groups at positions 2 and 3, an oxo group at position 9 and a nonyl group at position 8. Isolated from the culture broth of the fungus Talaromyces trachyspermus, it exhibits inhibitory activity against the enzyme heparanase.
Penicitrinol B
A furopyranoxanthene with formula C24H28O6. It is a natural product isolated from the fungus Penicillium citrinum B-57. D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
(-)-2beta-(2zeta-Hydroxy-3-methyl-1-oxobutyl)-2-deoxybruceol
(-)-2beta-{(E)-3-Hydroperoxy-3-methylbut-1-enyl}-2-deoxybruceol
(-)-2beta-(2zeta-Hydroperoxy-3-methylbut-3-enyl)-2-deoxybruceol
Bm 567
C18H28N4O5S (412.17803180000004)
4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentan-2-yl (E)-3-(4-hydroxyphenyl)prop-2-enoate
(1RS,2RS,7E)-2,9-dihydroxy-1-[(1E)-5-hydroxypent-1-en-1-yl]non-7-ene-3,5-diyn-1-yl beta-D-glucopyranoside|cordifolioidyne A|threo-9-(beta-D-glucopyranosyloxy)tetradeca-2,10-diene-4,6-diyne-1,8,14-triol
1beta-hydroxy-15-O-(p-methoxyphenylacetyl)-5alpha-6betaH-eudesma-3,11(13)-dien-12,6alpha-olide
(2E)-N-(4-aminobutyl)-3-[3-(beta-D-glucopyranosyloxy)-4-hydroxyphenyl]prop-2-enamide|N-(4-aminobutyl)caffeamide 3-beta-D-glucopyranoside|paucine 3-beta-D-glucopyranoside
6beta-Angeloyloxy-3beta-(2-methylacryloyloxy)-9-oxoeuryopsin
(2S)-3,3abeta,4,5-Tetrahydro-3alpha-(1-oxo-2-hydroxy-3-methylbutyl)-2,5,5-trimethyl-2beta,4beta-ethano-2H,9H-dipyrano[4,3,2-de:3,2-g][1]benzopyran-9-one
3-((1E)-1,3-dimethylpent-1-enyl)-8,10-dihydroxy-7-methoxy-8-(2-oxopropyl)-1H-naphtho[2,3-c]pyran-9(8H)-one|3-<(1E)-1,3-dimethylpent-1-enyl>-8,10-dihydroxy-7-methoxy-8-(2-oxopropyl)-1H-naphtho<2,3-c>pyran-9(8H)-one
3S*-(2,4-dihydroxybenzoyl)-4R*,5S*-dimethyl-5-[4-methyl-5-(4-methyl-2-furyl)-3(E)-penten-1-yl]tetrahydro-2-furanone
(9R,9aR)-3-hexanoyl-9-hydroxy-9a-methyl-9-(2-oxopropyl)-6-((E)-prop-1-enyl)-9,9a-dihydro-2H-furo[3,2-g]isochromen-2-one|monaphilol D
1beta-E-p-coumaroyl-5alpha-hydroxypolygodial|insperadial
(2S)-3,3abeta,4,5-Tetrahydro-3alpha-(2-hydroperoxy-3-methyl-3-butenyl)-2,5,5-trimethyl-2beta,4beta-ethano-2H,9H-dipyrano[4,3,2-de:3,2-g][1]benzopyran-9-one
Brucein E
Brucein E is a natural product found in Brucea javanica with data available.
C20H28O9_2-Propenoic acid, 3-(4-hydroxyphenyl)-, 3-(beta-D-glucopyranosyloxy)-1-methylbutyl ester, (2E)
[4,8-dihydroxy-3-(3-methoxy-3-oxoprop-1-en-2-yl)-8a-methyl-5-oxo-1,2,3,4,4a,6,7,8-octahydronaphthalen-2-yl] 3,4-dihydroxy-2-methylidenebutanoate
9-OH-Risperidone
C22H25FN4O3 (412.1910591999999)
CONFIDENCE standard compound; INTERNAL_ID 1568
4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentan-2-yl (E)-3-(4-hydroxyphenyl)prop-2-enoate_major
[4,8-dihydroxy-3-(3-methoxy-3-oxoprop-1-en-2-yl)-8a-methyl-5-oxo-1,2,3,4,4a,6,7,8-octahydronaphthalen-2-yl] 3,4-dihydroxy-2-methylidenebutanoate_major
4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentan-2-yl (E)-3-(4-hydroxyphenyl)prop-2-enoate_45.6\\%
4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentan-2-yl (E)-3-(4-hydroxyphenyl)prop-2-enoate_67.4\\%
Cys Pro Pro Pro
C18H28N4O5S (412.17803180000004)
Pro Cys Pro Pro
C18H28N4O5S (412.17803180000004)
Pro Pro Cys Pro
C18H28N4O5S (412.17803180000004)
Pro Pro Pro Cys
C18H28N4O5S (412.17803180000004)
Cinalukast
C23H28N2O3S (412.18205380000006)
C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent
4,8-Dihydroxy-3-(3-methoxy-3-oxo-1-propen-2-yl)-8a-methyl-5-oxodecahydro-2-naphthalenyl 3,4-dihydroxy-2-methylenebutanoate
2,6a,8a,11b-Tetrahydroxy-7-(hydroxymethyl)-1,4,4,10-tetramethyl-3a,6a,7,8,8a,11a,11b,11c-octahydro-1H-5,6-dioxanaphtho[1,8-ef]azulene-3,9(2H,4H)-dione
4-(?-D-Glucopyranosyloxy)-2-pentanyl (2E)-3-(4-hydroxyphenyl)acrylate
ST 21:2;O3;S
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate
C26H24N2O3 (412.17868339999995)
Promethazine hcl
C20H29ClN2O5 (412.17648940000004)
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist D002491 - Central Nervous System Agents > D000700 - Analgesics
BIX02188
C25H24N4O2 (412.18991639999996)
BIX02188 is a potent MEK5-selective inhibitor with an IC50 of 4.3 nM. BIX02188 inhibits ERK5 catalytic activity, with an IC50 of 810 nM.
1,2-(2-Hydroxyl-4,4-bis-alpha-pyranol)diphenylethanone
4-[5-[[3-[(Cyclopropylamino)methyl]phenyl]amino]-1h-Pyrazol-3-Yl]-[1,1-Biphenyl]-2,4-Diol
C25H24N4O2 (412.18991639999996)
6-Hydroxy-7-phenyl-4-[(4-phenyl-1-piperazinyl)methyl]-1-benzopyran-2-one
C26H24N2O3 (412.17868339999995)
5-(4-Amino-1-ethyl-5,8-difluoro-1H-spiro[piperidine-4,2-quinazoline]-1-ylcarbonyl)picolinonitrile
Benzenesulfonamide, 2-(cyclohexylamino)-5-nitro-N-((pentylamino)carbonyl)-
C18H28N4O5S (412.17803180000004)
4-[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentan-2-yl 3-(4-hydroxyphenyl)prop-2-enoate
Brucein E
Ultiva
C20H29ClN2O5 (412.17648940000004)
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics
17-Hydroxypregnenolone 3-sulfate
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
1-(5-chloro-1H-indol-3-yl)-N-[2-[2-(cyclopropylmethoxy)phenoxy]ethyl]-2-methylpropan-2-amine
N-cycloheptyl-3-[3,4-dihydro-2H-quinolin-1-yl(oxo)methyl]benzenesulfonamide
C23H28N2O3S (412.18205380000006)
4-[4-[5-[3-[(Cyclopropylamino)methyl]anilino]-1,2-dihydropyrazol-3-ylidene]-1-cyclohexa-2,5-dienylidene]-3-hydroxy-1-cyclohexa-2,5-dienone
C25H24N4O2 (412.18991639999996)
[1-[(7-chloro-3-methyl-1H-indol-2-yl)methyl]-4-(2-phenoxyethyl)-4-piperidinyl]methanol
2-(1,3-Benzoxazol-2-ylamino)-7-phenyl-5-spiro[1,6,7,8-tetrahydroquinazoline-4,1-cyclopentane]one
C25H24N4O2 (412.18991639999996)
2-[(5-Phenyl-1,3-benzoxazol-2-yl)amino]-5-spiro[1,6,7,8-tetrahydroquinazoline-4,1-cyclopentane]one
C25H24N4O2 (412.18991639999996)
(6R,7R,8S)-4-benzoyl-8-(hydroxymethyl)-7-(4-phenylphenyl)-1,4-diazabicyclo[4.2.0]octan-2-one
C26H24N2O3 (412.17868339999995)
(E)-N-(4-aminobutyl)-3-[4-hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enamide
1,6,9,15-Tetrahydroxy-8-(hydroxymethyl)-4,12,12,16-tetramethyl-10,11-dioxatetracyclo[7.7.1.02,6.013,17]heptadec-3-ene-5,14-dione
17alpha-hydroxypregnenolone 3-sulfate
A steroid sulfate that is 17alpha-hydroxypregnenolone in which the hydroxy hydrogen at position 3 has been replaced by a sulfo group.
Desmethyl cariprazine
C20H30Cl2N4O (412.17965499999997)
Desmethyl cariprazine is an active metabolite of Cariprazine[1]. Cariprazine, an antipsychotic agent candidate, exhibits high affinity for the D3 (Ki=0.085 nM) and D2 (0.49 nM) receptors, and moderate affinity for the 5-HT1A receptor (2.6 nM)[2].
HIF1-IN-3
C26H24N2O3 (412.17868339999995)
HIF1-IN-3 (compound F4) is a potent HIF1 inhibitor with an EC50 value of 0.9 μM. HIF1-IN-3 can be used for researching anticancer[1].
4-{[(2s,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}-3-methoxy-5-(3-methylbut-2-en-1-yl)benzoic acid
(4s,4ar,5r,6s)-3,4a,5-trimethyl-6-[(2-methylprop-2-enoyl)oxy]-9-oxo-4h,5h,6h,7h-naphtho[2,3-b]furan-4-yl (2z)-2-methylbut-2-enoate
16-(hydroxymethyl)-13-methoxy-12-methyl-11,14-dioxo-5-oxa-8,17,20-triazahexacyclo[15.3.1.0³,¹⁹.0⁴,⁸.0⁹,¹⁸.0¹⁰,¹⁵]henicosa-10(15),12-diene-21-carbonitrile
4,12'-dihydroxy-4-(1-hydroxyethyl)-12'-isopropyl-8'-methoxy-7'-methyl-4',10'-dioxaspiro[oxolane-2,6'-tetracyclo[7.2.1.0²,⁷.0³,⁵]dodecane]-5,11'-dione
(1r,2s,3s,7s,8r,9s,12r,13r,14s,15r,16r,17s)-3,8,12,13,15,16-hexahydroxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-5-ene-4,11-dione
1-hydroxy-6,6,9a-trimethyl-3-oxo-1h,5h,5ah,7h,8h,9h,9bh-naphtho[1,2-c]furan-9-yl 3-(4-hydroxyphenyl)prop-2-enoate
(1's,2s,3'r,4s,4's,8'r,9's,10's)-3',8',9'-trihydroxy-4-[(1s)-1-hydroxyethyl]-8'-isopropyl-10'-methoxy-1'-methyl-5'-oxaspiro[oxolane-2,2'-tricyclo[5.3.1.0⁴,¹¹]undecan]-7'(11')-ene-5,6'-dione
4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentan-2-yl 3-(4-hydroxyphenyl)prop-2-enoate
(2s,4r)-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentan-2-yl (2e)-3-(4-hydroxyphenyl)prop-2-enoate
(2e)-n-(4-aminobutyl)-3-(4-hydroxy-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enimidic acid
4-{[(2s)-3,3-dimethyloxiran-2-yl]methyl}-2-(4-hydroxybenzoyl)-5-methoxy-6-(3-methylbut-2-en-1-yl)benzene-1,3-diol
7,8-diformyl-4a-hydroxy-4,4,8a-trimethyl-2,3,5,8-tetrahydro-1h-naphthalen-1-yl 3-(4-hydroxyphenyl)prop-2-enoate
{1-acetyl-5-hydroxy-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,5h,5ah,6h,7h,8h,9h,11h-cyclopenta[a]phenanthren-7-yl}oxidanesulfonic acid
(12r,15s,16r,17r)-16-[(2r)-2-hydroxy-3-methylbutanoyl]-11,11,15-trimethyl-6,10,19-trioxapentacyclo[13.3.1.0²,⁷.0⁹,¹⁸.0¹²,¹⁷]nonadeca-1,3,7,9(18)-tetraen-5-one
(2s,3s)-6-[(1r)-1,2-dihydroxyethyl]-2,5,7-trimethyl-3-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydroinden-1-one
(2S,3S)- pterosin S- 14- O- β-glucopyranoside
{"Ingredient_id": "HBIN006732","Ingredient_name": "(2S,3S)- pterosin S- 14- O- \u03b2-glucopyranoside","Alias": "NA","Ingredient_formula": "C20H28O9","Ingredient_Smile": "CC1C(C2=CC(=C(C(=C2C1=O)CO)CCOC3C(C(C(C(O3)CO)O)O)O)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41787","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}