Exact Mass: 396.1913
Exact Mass Matches: 396.1913
Found 224 metabolites which its exact mass value is equals to given mass value 396.1913,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
9alpha-Fluoro-16alpha-hydroxyhydrocortisone
Zwittermicin A
The (+)-enantiomer of zwittermicin A. It is a water-soluble natural antibiotic from the fermentation of the soil-borne bacterium Bacillus cereus and shows significant activity against phytopathogenic fungi.
3beta-Hydroxypregn-5-en-20-one sulfate
3beta-Hydroxypregn-5-en-20-one sulfate is a metabolite of pregnenolone. Pregnenolone, also known as 3α,5β-tetrahydroprogesterone (3α,5β-THP), is an endogenous steroid hormone involved in the steroidogenesis of progestogens, mineralocorticoids, glucocorticoids, androgens, and estrogens, as well as the neuroactive steroids. As such it is a prohormone, though it also has biological effects of its own, behaving namely as a neuroactive steroid in its own right with potent anxiolytic effects. (Wikipedia) D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones Pregnenolone monosulfate (3β-Hydroxy-5-pregnen-20-one monosulfate) is a powerful neurosteroid, the main precursor of various steroid hormones including steroid ketones. Pregnenolone monosulfate acts as a signaling-specific inhibitor of cannabinoid CB1 receptor, inhibits the effects of tetrahydrocannabinol (THC) that are mediated by the CB1 receptors. Pregnenolone monosulfate can protect the brain from cannabis intoxication[1][2]. Pregnenolone monosulfate is also a TRPM3 channel activator, and also can weakly activate TRPM1 channels[3]. Pregnenolone monosulfate (3β-Hydroxy-5-pregnen-20-one monosulfate) is a powerful neurosteroid, the main precursor of various steroid hormones including steroid ketones. Pregnenolone monosulfate acts as a signaling-specific inhibitor of cannabinoid CB1 receptor, inhibits the effects of tetrahydrocannabinol (THC) that are mediated by the CB1 receptors. Pregnenolone monosulfate can protect the brain from cannabis intoxication[1][2]. Pregnenolone monosulfate is also a TRPM3 channel activator, and also can weakly activate TRPM1 channels[3].
1-[2-Amino-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea
D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors
Pregnenolone sulfate
Pregnenolone sulfate is a sulfated version of the steroid hormone known as pregnenolone. Pregnenolone sulfate belongs to the class of organic compounds known as sulfated steroids. These are sterol lipids containing a sulfate group attached to the steroid skeleton. Pregnenolone sulfate is a neurosteroid found in the brain and central nervous system. Pregnenolone sulfate is a metabolite synthesized from pregnenolone via sulfation. It is known to have cognitive and memory-enhancing, antidepressant, anxiogenic, and proconvulsant effects (PMID: 21094889). As a neurosteroid, pregnenolone sulfate modulates a variety of ion channels, transporters, and enzymes. Interestingly, as a sulfated steroid, pregnenolone sulfate is not the final- or waste-product of pregnenolone being sulfated via a phase II metabolism reaction and renally excreted, as one would presume from pharmacology textbook knowledge. Pregnenolone sulfate is also the source and thereby the starting point for subsequent steroid synthesis pathways. Recently, pregnenolone sulfate has been shown to not only be a modulator of ion channels, but it is also an activating ion channel ligand (PMID: 24084011). Pregnenolone sulfate, a neurosteroid, is a metabolite of Pregnenolone. It is found in the brain and central nervous system. [HMDB] D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones Pregnenolone monosulfate (3β-Hydroxy-5-pregnen-20-one monosulfate) is a powerful neurosteroid, the main precursor of various steroid hormones including steroid ketones. Pregnenolone monosulfate acts as a signaling-specific inhibitor of cannabinoid CB1 receptor, inhibits the effects of tetrahydrocannabinol (THC) that are mediated by the CB1 receptors. Pregnenolone monosulfate can protect the brain from cannabis intoxication[1][2]. Pregnenolone monosulfate is also a TRPM3 channel activator, and also can weakly activate TRPM1 channels[3]. Pregnenolone monosulfate (3β-Hydroxy-5-pregnen-20-one monosulfate) is a powerful neurosteroid, the main precursor of various steroid hormones including steroid ketones. Pregnenolone monosulfate acts as a signaling-specific inhibitor of cannabinoid CB1 receptor, inhibits the effects of tetrahydrocannabinol (THC) that are mediated by the CB1 receptors. Pregnenolone monosulfate can protect the brain from cannabis intoxication[1][2]. Pregnenolone monosulfate is also a TRPM3 channel activator, and also can weakly activate TRPM1 channels[3].
(S)-(E)-8-(3,6-Dimethyl-2-heptenyl)-4',5,7-trihydroxyflavanone
(S)-(E)-8-(3,6-Dimethyl-2-heptenyl)-4,5,7-trihydroxyflavanone is found in mushrooms. (S)-(E)-8-(3,6-Dimethyl-2-heptenyl)-4,5,7-trihydroxyflavanone is a constituent of Artocarpus communis (breadfruit). Constituent of Artocarpus communis (breadfruit). 8-(3,6-Dimethyl-2-heptenyl)-naringenin is found in mushrooms.
(S)-(E)-2'-(3,6-Dimethyl-2-heptenyl)-3',4',7-trihydroxyflavanone
(S)-(E)-2-(3,6-Dimethyl-2-heptenyl)-3,4,7-trihydroxyflavanone is found in fruits. (S)-(E)-2-(3,6-Dimethyl-2-heptenyl)-3,4,7-trihydroxyflavanone is a constituent of Artocarpus communis (breadfruit). Constituent of Artocarpus communis (breadfruit). (S)-(E)-2-(3,6-Dimethyl-2-heptenyl)-3,4,7-trihydroxyflavanone is found in fruits.
(3'x,5'a,9'x,10'b)-O-(3-Hydroxy-6-oxo-7-drimen-11-yl)umbelliferone
(3x,5a,9x,10b)-O-(3-Hydroxy-6-oxo-7-drimen-11-yl)umbelliferone is found in herbs and spices. (3x,5a,9x,10b)-O-(3-Hydroxy-6-oxo-7-drimen-11-yl)umbelliferone is a constituent of Ferula galbaniflua (galbanum). Constituent of Ferula galbaniflua (galbanum). (3x,5a,9x,10b)-O-(3-Hydroxy-6-oxo-7-drimen-11-yl)umbelliferone is found in herbs and spices.
1-Hexanol arabinosylglucoside
1-Hexanol arabinosylglucoside is found in pomes. 1-Hexanol arabinosylglucoside is a constituent of apples (Malus sylvestris) Constituent of apples (Malus sylvestris). 1-Hexanol arabinosylglucoside is found in malus (crab apple) and pomes.
1-[2-Amino-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea
D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors
Dextran-70
Fukanemarin A
A hydroxycoumarin that is 4,7-dihydroxycoumarin substituted by a 1,2,6,10-tetramethyl-8-oxoundeca-2(E),5(E),9-trienyl moiety at position 3. Isolated from the roots of Ferula fukanensis, it exhibits inhibitory effects on the production of nitric oxide (NO).
(-)-2beta-{(E)-3-Hydroxy-3-methylbut-1-enyl}-2-deoxybruceol
methyl 2-[1-(4-fluorobenzyl)-1h-indole-3-carboxamido]-3,3-dimethylbutanoate
(E)-3-(4-methoxyphenyl)-1-[2,4,6-trimethoxy-3-(3-methylbut-2-enyl)phenyl]prop-2-en-1-one
4-Hydroxycinnamoyl(E-)-15-Hydroxy-3,11(13)-eudesmadien-12-oic acid
2,3-dihydro-7-hydroxy-2R*,3R*-dimethyl-2-[4,8-dimethyl-4(Z),7-nonadien-6-onyl]furo[3,2-c]coumarin|fukanefuromarin D
1beta-(E-cinnamoyloxy)-5alpha-hydroxypolygodial|1beta-E-cinnamoyl-5alpha-hydroxypolygodial
2,3-dihydro-7-hydroxy-2S*,3R*-dimethyl-2-[4,8-dimethyl-3(E),7-nonadien-6-onyl]-furo[3,2-c]coumarin|dihydro-7-hydroxy-2R*,3S*-dimethyl-2-[4,8-dimethyl-3(E),7-nonadien-6-onyl]furo[3,2-c]coumarin
7-[6-(beta-carboxyethyl)-4-isopropenyl-2,6-dimethylcyclohex-2-enylmethyloxy]coumarin
Tox21_303565
Quinine hydrochloride dihydrate (Qualaquin) is an orally active and can be used in anti-malarial studies. Quinine hydrochloride dihydrate is a potassium channel inhibitor that inhibits WT mouse Slo3 (KCa5.1) channel currents evoked by voltage pulses to +100?mV with an IC50 of 169 μM[1][2].
Quinine hydrochloride dihydrate
Quinine hydrochloride dihydrate (Qualaquin) is an orally active and can be used in anti-malarial studies. Quinine hydrochloride dihydrate is a potassium channel inhibitor that inhibits WT mouse Slo3 (KCa5.1) channel currents evoked by voltage pulses to +100?mV with an IC50 of 169 μM[1][2].
(E)-3-(4-methoxyphenyl)-1-[2,4,6-trimethoxy-3-(3-methylbut-2-enyl)phenyl]prop-2-en-1-one
(E)-3-(4-methoxyphenyl)-1-[2,4,6-trimethoxy-3-(3-methylbut-2-enyl)phenyl]prop-2-en-1-one [IIN-based: Match]
(E)-3-(4-methoxyphenyl)-1-[2,4,6-trimethoxy-3-(3-methylbut-2-enyl)phenyl]prop-2-en-1-one [IIN-based on: CCMSLIB00000846372]
pregnenolone sulfate
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones Pregnenolone monosulfate (3β-Hydroxy-5-pregnen-20-one monosulfate) is a powerful neurosteroid, the main precursor of various steroid hormones including steroid ketones. Pregnenolone monosulfate acts as a signaling-specific inhibitor of cannabinoid CB1 receptor, inhibits the effects of tetrahydrocannabinol (THC) that are mediated by the CB1 receptors. Pregnenolone monosulfate can protect the brain from cannabis intoxication[1][2]. Pregnenolone monosulfate is also a TRPM3 channel activator, and also can weakly activate TRPM1 channels[3]. Pregnenolone monosulfate (3β-Hydroxy-5-pregnen-20-one monosulfate) is a powerful neurosteroid, the main precursor of various steroid hormones including steroid ketones. Pregnenolone monosulfate acts as a signaling-specific inhibitor of cannabinoid CB1 receptor, inhibits the effects of tetrahydrocannabinol (THC) that are mediated by the CB1 receptors. Pregnenolone monosulfate can protect the brain from cannabis intoxication[1][2]. Pregnenolone monosulfate is also a TRPM3 channel activator, and also can weakly activate TRPM1 channels[3].
Pro Pro Pro Ser
Pro Pro Ser Pro
Pro Ser Pro Pro
Ser Pro Pro Pro
1-Hexanol arabinosylglucoside
(3'x,5'a,9'x,10'b)-O-(3-Hydroxy-6-oxo-7-drimen-11-yl)umbelliferone
(S)-(E)-2'-(3,6-Dimethyl-2-heptenyl)-3',4',7-trihydroxyflavanone
(S)-(E)-8-(3,6-Dimethyl-2-heptenyl)-4',5,7-trihydroxyflavanone
2.4.4.6-Tetramethylether-3-prenylchalcone
1-PHENYL-2-(3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)-1H-BENZO[D]IMIDAZOLE
Toceranib
C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor
1,3-Phenylenebis(2,2-propanediyl-4,1-phenylene) dicyanate
1-BOC-3-[1-(4-FLUORO-BENZYL)-1H-BENZOIMIDAZOL-2-YLAMINO]-AZETIDINE
N,N-Bis[[4-(2-propen-1-yloxy)phenyl]methylene]-1,4-benzenediamine
4-[[1-[(4-FLUOROPHENYL)-METHYL]-1H-BENZIMIDAZOLE-2-YL]AMINO]-1-PIPERIDINECARBOXYLIC ACID ETHYL ESTER
2-Deoxy-3,5-bis-O-[(1,1-dimethylethyl)dimethylsilyl]-2,2-difluoro-L-erythro-pentonic acid γ-lactone
5-Amino-5-deoxy-2,3-O-(1-methylethylidene)-N-(phenylmethyl)adenosine
4-[[6-[(1-Oxo-2-propenyl)oxy]hexyl]oxy]benzoic acid 4-ethylphenyl ester
(2r)-3-(Phosphonooxy)propane-1,2-Diyl Diheptanoate
(6e,11e)-Heptadeca-6,11-Diene-9,9-Diylbis(Phosphonic Acid)
2-Hexoxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxane-3,4,5-triol
2-[[3,5-Dihydroxy-4-methoxy-6-(methoxymethyl)oxan-2-yl]methoxymethyl]-6-ethyloxane-3,4,5-triol
Fukanefuromarin A
A furanocoumarin that is 2,3-dihydrofuro[3,2-c]coumarin substituted by a hydroxy group at position 7, methyl groups at positions 2 and 3 (relatively cis configuration) and a 4,8-dimethyl-4(E),7-nonadien-6-onyl moiety at position 2. Isolated from the roots of Ferula fukanensis, it inhibits production of nitric oxide (NO).
9-Fluoro-11beta,16alpha,17,21-tetrahydroxypregn-4-ene-3,20-dione
Fukanefuromarin C
A furanocoumarin that is 2,3-dihydrofuro[3,2-c]coumarin substituted by a hydroxy group at position 7, methyl groups at positions 2 and 3 (relatively cis configuration) and a 4,8-dimethyl-4(Z),7-nonadien-6-onyl moiety at position 2. Isolated from the roots of Ferula fukanensis, it inhibits production of nitric oxide (NO).
Fukanefuromarin B
A furanocoumarin that is 2,3-dihydrofuro[3,2-c]coumarin substituted by a hydroxy group at position 7, methyl groups at positions 2 and 3 (relatively trans configuration) and a 4,8-dimethyl-4(E),7-nonadien-6-onyl moiety at position 2. Isolated from the roots of Ferula fukanensis, it inhibits production of nitric oxide (NO).
(2R*,3R*)-2,3-dihydro-7-hydroxy-2,3-dimethyl-2-[4,8-dimethyl-3(E)-7-nonadien-6-onyl]furo[3,2-c]coumarin
A furanocoumarin that is 2,3-dihydrofuro[3,2-c]coumarin substituted by a hydroxy group at position 7, methyl groups at positions 2 and 3 (relatively trans configuration) and a 4,8-dimethyl-3(E)-7-nonadien-6-onyl moiety at position 2. Isolated from the roots of Ferula fukanensis, it exhibits inhibitory effect on the production of nitric oxide (NO).
Fukanefuromarin D
A furanocoumarin that is 2,3-dihydrofuro[3,2-c]coumarin substituted by a hydroxy group at position 7, methyl groups at positions 2 and 3 (relatively trans configuration) and a 4,8-dimethyl-4(Z),7-nonadien-6-onyl moiety at position 2. Isolated from the roots of Ferula fukanensis, it inhibits production of nitric oxide (NO).
(2S*,3R*)-2,3-dihydro-7-hydroxy-2,3-dimethyl-2-[4,8-dimethyl-3(E),7-nonadien-6-onyl]-furo[3,2-c]coumarin
A furanocoumarin that is 2,3-dihydrofuro[3,2-c]coumarin substituted by a hydroxy group at position 7, methyl groups at positions 2 and 3 (relatively cis configuration) and a 4,8-dimethyl-3(E),7-nonadien-6-onyl moiety at position 2. Isolated from the roots of Ferula fukanensis and Ferula ferulioides, it exhibits inhibitory activity against production of nitric oxide (NO).
2-(3-methylphenyl)-N-[4-(4-morpholinyl)phenyl]-4-quinazolinamine
6-[4-[4-(phenylmethyl)-1-piperazinyl]-1H-quinazolin-2-ylidene]-1-cyclohexa-2,4-dienone
2-(4-methylphenyl)-N-[4-(4-morpholinyl)phenyl]-4-quinazolinamine
(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]hexanoic acid
(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoic acid
(S)-[(2S,4S,5R)-5-Ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;dihydrate;hydrochloride
3-O,5-O-diethyl 4-O-[2-oxo-2-(propan-2-ylamino)ethyl] 2,6-dimethyl-3,4-dihydropyridine-3,4,5-tricarboxylate
(1-Acetyloxy-3-phosphonooxypropan-2-yl) dodecanoate
(1-Hexanoyloxy-3-phosphonooxypropan-2-yl) octanoate
(1-Pentanoyloxy-3-phosphonooxypropan-2-yl) nonanoate
(1-Phosphonooxy-3-propanoyloxypropan-2-yl) undecanoate
(1-Butanoyloxy-3-phosphonooxypropan-2-yl) decanoate
(3x,5a,9x,10b)-O-(3-Hydroxy-6-oxo-7-drimen-11-yl)umbelliferone
(S)-(E)-8-(3,6-Dimethyl-2-heptenyl)-4,5,7-trihydroxyflavanone
(S)-(E)-2-(3,6-Dimethyl-2-heptenyl)-3,4,7-trihydroxyflavanone
9alpha-Fluoro-16alpha-hydroxyhydrocortisone
4,8-diamino-N-[1-amino-3-(carbamoylamino)-1-oxopropan-2-yl]-2,3,5,7,9-pentahydroxynonanamide
phosphatidic acid 14:0
A phosphatidic acid in which the two acyl groups contain a total of 14 carbons and no double bonds.
(3r)-8-benzoyl-5-methoxy-2,2-dimethyl-6-(3-methylbut-2-en-1-yl)-3,4-dihydro-1-benzopyran-3,7-diol
(12r,15s,16r,17r)-16-[(1e)-3-hydroxy-3-methylbut-1-en-1-yl]-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
6,6,9a-trimethyl-1-oxo-3h,4h,5h,5ah,7h,8h,9h-naphtho[1,2-c]furan-5-yl 3-(4-hydroxyphenyl)prop-2-enoate
(2s,3r)-2-(4,8-dimethyl-6-oxonona-4,7-dien-1-yl)-7-hydroxy-2,3-dimethyl-3h-furo[2,3-b]chromen-4-one
n-{3-[(3s,5r,8r,9r)-9-hydroxy-8-(2-hydroxy-4-iminopyrimidin-1-yl)-2-(hydroxyimino)-1,7-dioxa-4-azaspiro[4.5]decan-3-yl]propyl}guanidine
4,7-dihydroxy-3-[(2r,3e,6e)-3,7,11-trimethyl-9-oxododeca-3,6,10-trien-2-yl]chromen-2-one
n-{3-[(1r,4r,6r,9r)-6-hydroxy-9-(2-hydroxy-4-iminopyrimidin-1-yl)-3-(hydroxyimino)-2,8-dioxa-5-azabicyclo[4.3.1]decan-4-yl]propyl}guanidine
(1r,5s,8r)-1,3,5-trimethyl-2,8-bis[(3e,5e)-2-oxohepta-3,5-dien-1-yl]-6-oxabicyclo[3.2.1]oct-2-ene-4,7-dione
(2s,3r)-2-[(3e)-4,8-dimethyl-6-oxonona-3,7-dien-1-yl]-7-hydroxy-2,3-dimethyl-3h-furo[2,3-b]chromen-4-one
(2r,3s,4s,5r,6r)-2-({[(2r,3r,4s)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-(hexyloxy)oxane-3,4,5-triol
2-(3-hydroxybenzoyl)-5-methoxy-4,6-bis(3-methylbut-2-en-1-yl)benzene-1,3-diol
1-[(1s,12r,13s,14r,17s,18r)-13-hydroxy-8,13,17-trimethyl-3,11,19-trioxapentacyclo[10.6.1.0²,¹⁰.0⁴,⁹.0¹⁴,¹⁸]nonadeca-2(10),4,6,8-tetraen-12-yl]-3-methylbut-2-en-1-one
(2r,3r,4s,5r,6r)-2-(hexyloxy)-6-({[(2s,3r,4r,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxane-3,4,5-triol
(1r,4ar,8r,8as)-7,8-diformyl-4a-hydroxy-4,4,8a-trimethyl-2,3,5,8-tetrahydro-1h-naphthalen-1-yl (2e)-3-phenylprop-2-enoate
(2s,3r,4r)-4,8-diamino-2,3,5,7,9-pentahydroxy-n-[1-(c-hydroxycarbonimidoyl)-2-(c-hydroxycarbonimidoylamino)ethyl]nonanimidic acid
2,3-dihydro-7-hydroxy-2s*,3r*-dimethyl-2-[4,8-dimethyl-3(e),7-nonadien-6-onyl]-furo[3,2-c]coumarin
{"Ingredient_id": "HBIN004005","Ingredient_name": "2,3-dihydro-7-hydroxy-2s*,3r*-dimethyl-2-[4,8-dimethyl-3(e),7-nonadien-6-onyl]-furo[3,2-c]coumarin","Alias": "NA","Ingredient_formula": "C24H28O5","Ingredient_Smile": "CC1C2=C(C3=C(C=C(C=C3)O)OC2=O)OC1(C)CCC=C(C)CC(=O)C=C(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5625","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
