Exact Mass: 452.2118
Exact Mass Matches: 452.2118
Found 337 metabolites which its exact mass value is equals to given mass value 452.2118
,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
3b,12b-Etheno-4H-cyclopenta(1,2)phenanthro(9,10-c)furan-1,3-dione, 10-acetyl-5-(acetyloxy)-3a,5,6,7,7a,9,9a,10,11,12,12a,12c-dodecahydro-7a,9a-dimethyl-
8-Butanoylneosolaniol
8-Butanoylneosolaniol is produced by Fusarium sporotrichioides.
8-Isobutanoylneosolaniol
8-Isobutanoylneosolaniol is produced by Fusarium sporotrichioides. Production by Fusarium sporotrichioides
(S)-3-(8-(Dimethylaminomethyl)-6,7,8,9-tetrahydropyrido(1,2-a)indol-10-yl)-4-(1-methyl-3-indolyl)-1H-pyrrole-2,5-dione hydrochloride
2'-Methoxykurarinone
(2S)-2-methoxykurarinone is a dimethoxyflavanone that is (2S)-(-)-kurarinone in which the hydroxy group at position 2 is replaced by a methoxy group. Isolated from the roots of Sophora flavescens, it exhibits cytotoxicity against human myeloid leukemia HL-60 cells. It has a role as a metabolite and an antineoplastic agent. It is a dimethoxyflavanone, a dihydroxyflavanone and a member of 4-hydroxyflavanones. It is functionally related to a (2S)-(-)-kurarinone. (2S)-2-methoxykurarinone is a natural product found in Sophora flavescens with data available. A dimethoxyflavanone that is (2S)-(-)-kurarinone in which the hydroxy group at position 2 is replaced by a methoxy group. Isolated from the roots of Sophora flavescens, it exhibits cytotoxicity against human myeloid leukemia HL-60 cells. (2S)-2'-Methoxykurarinone, a compound isolated from the roots of Sophora flavescens, has anti-inflammatory, antipyretic, antidiabetic, and antineoplastic effects. (2S)-2'-Methoxykurarinone (MK) inhibits osteoclastogenesis and bone resorption through down-regulation of RANKL signaling. (2S)-2'-Methoxykurarinone (MK) displays cytotoxic activity against human myeloid leukemia HL-60 cells[1][2]. (2S)-2'-Methoxykurarinone, a compound isolated from the roots of Sophora flavescens, has anti-inflammatory, antipyretic, antidiabetic, and antineoplastic effects. (2S)-2'-Methoxykurarinone (MK) inhibits osteoclastogenesis and bone resorption through down-regulation of RANKL signaling. (2S)-2'-Methoxykurarinone (MK) displays cytotoxic activity against human myeloid leukemia HL-60 cells[1][2].
9alpha-Acetoxymelnerin B
[3aR-(3aalpha,4aalpha,5alpha,7abeta,9abeta)]-5-[(6-O-Acetyl-beta-D-glucopyranosyl)oxy]-3a,4,4a,5,6,7,7a,9a-octahydro-5,8-dimethyl-3-methylene-azuleno[6,5-b]furan-2(3H)-one
28-Deoxonimbolide
28-deoxonimbolide is a limonoid isolated from Azadirachta indica. It has a role as an antineoplastic agent and a plant metabolite. It is an organic heteropentacyclic compound, a cyclic terpene ketone, an enone, a member of furans, a limonoid and a methyl ester. 28-Deoxonimbolide is a natural product found in Azadirachta indica with data available. A limonoid isolated from Azadirachta indica.
Absinthifolide
4,8,12-Tris(acetyloxy)-10-[(acetyloxy)methyl]-2,6-dimethyl-2,6,10-dodecatrienal
[5-ethenyl-3-hydroxy-4-(3-hydroxyprop-1-en-2-yl)-2-(3-methoxy-3-oxoprop-1-en-2-yl)-5-methylcyclohexyl] (Z)-4-acetyloxy-2-(hydroxymethyl)but-2-enoate
(7R,8R)-4-O-(glycer-2-yl)-7,9,9-trihydroxy-3,3-dimethoxy-8-O-4-neolignan
1-<4-O-(2-hydroxy-1-hydroxymethylethyl)-3-methoxyphenyl>-2-<4-(1-propanol)-3-methoxyphenyl>-propane-1,3-diol|1-[4-O-(2-hydroxy-1-hydroxymethylethyl)-3-methoxyphenyl]-2-[4-(1-propanol)-3-methoxyphenyl]-propane-1,3-diol
lespeflorin G3
A member of the class of pterocarpans that is (6aR,11aR)-pterocarpan substituted by hydroxy groups at positions 3 and 8, methoxy groups at positions 1 and 9 and prenyl groups at positions 2 and 10. Isolated from the roots of Lespedeza floribunda, it acts as a melanin synthesis inhibitor.
2-(3,4-dimethoxyphenyl)-6-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-2,3-dihydro-5,7-dihydroxy-4H-1-benzopyran-4-one|6-geranyl-5,7-dihydroxy-3,4-dimethoxyflavanone
Tetra-Ac-8-(1-Hydroxypropyl)-2-(2-penten-4-ynyl)-3,5,6-oxocanetrio
ochrindole A
A bisindole alkaloid that is phenol bearing a 3,3-dimethylallyl group at position 4, two methoxy groups at positions 3 and 6, and two indol-3-yl groups at positions 2 and 5. It is a natural product isolated from the sclerotia of Aspergillus orbraceus, with moderate activity against some insects, as well as Gram-positive bacteria.
(1R*,4R*,5R*,8S*,10R*)-1,4-Epoxy-1-ethoxy-5-hydroxy-8-methacryloxy-13-acetoxygermacra-5E,7(11)-dien-6,12-olide
(2S)-5,7,4-trihydroxy-2-methoxy-8,5-di(3-methyl-2-butenyl)-6-methylflavanone
4-hydroxy-5,7-dimethoxy-6,3-diprenylisoflavanquinone|licoriquinone A
1alpha-(3-furanoyloxy)-9beta-benzoyloxy-dihydro-beta-agarofuran
(3R)-5,8-di-(gamma,gamma-dimethylallyl)-2,5-dihydroxyl-4,7-dimethoxyl-isoflavanone
5,3?-dihydroxy-7,4?-dimethoxy-6,8-dimethylallylflavanone|prenylutiline
1,3,5,7-tetrahydroxy-2-isoprenyl-8-geranylxanthone|cratoxyarborenone A
C23H32O9_Cyclohexaneacetic acid, 6-[4-(acetyloxy)-3-hydroxy-2-methylene-1-oxobutoxy]-4-ethenyl-2-hydroxy-3-[1-(hydroxymethyl)ethenyl]-4-methyl-alpha-methylene-, methyl ester
C23H32O9_D-Glucitol, 1,5-anhydro-1-C-[2,6-dihydroxy-3-(methoxycarbonyl)-4-[(3Z,5Z)-3,5-nonadien-1-yl]phenyl]-, (1S)
[5-ethenyl-3-hydroxy-4-(3-hydroxyprop-1-en-2-yl)-2-(3-methoxy-3-oxoprop-1-en-2-yl)-5-methylcyclohexyl] 4-acetyloxy-3-hydroxy-2-methylidenebutanoate
methyl 2,4-dihydroxy-6-[(3Z,5Z)-nona-3,5-dienyl]-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzoate
Ala Cys Phe Ile
Ala Cys Phe Leu
Ala Cys Ile Phe
Ala Cys Leu Phe
Ala Glu His Pro
Ala Glu Pro His
Ala Phe Cys Ile
Ala Phe Cys Leu
Ala Phe Ile Cys
Ala Phe Leu Cys
Ala His Glu Pro
Ala His Pro Glu
Ala Ile Cys Phe
Ala Ile Phe Cys
Ala Leu Cys Phe
Ala Leu Phe Cys
Ala Pro Glu His
Ala Pro His Glu
Cys Ala Phe Ile
Cys Ala Phe Leu
Cys Ala Ile Phe
Cys Ala Leu Phe
Cys Phe Ala Ile
Cys Phe Ala Leu
Cys Phe Ile Ala
Cys Phe Leu Ala
Cys Ile Ala Phe
Cys Ile Phe Ala
Cys Leu Ala Phe
Cys Leu Phe Ala
Glu Ala His Pro
Glu Ala Pro His
Glu His Ala Pro
Glu His Pro Ala
Glu Pro Ala His
Glu Pro His Ala
Phe Ala Cys Ile
Phe Ala Cys Leu
Phe Ala Ile Cys
Phe Ala Leu Cys
Phe Cys Ala Ile
Phe Cys Ala Leu
Phe Cys Ile Ala
Phe Cys Leu Ala
Phe Gly Met Val
Phe Gly Val Met
Phe Ile Ala Cys
Phe Ile Cys Ala
Phe Leu Ala Cys
Phe Leu Cys Ala
Phe Met Gly Val
Phe Met Val Gly
Phe Val Gly Met
Phe Val Met Gly
Gly Phe Met Val
Gly Phe Val Met
Gly Met Phe Val
Gly Met Val Phe
Gly Val Phe Met
Gly Val Met Phe
His Ala Glu Pro
His Ala Pro Glu
His Glu Ala Pro
His Glu Pro Ala
His Pro Ala Glu
His Pro Glu Ala
Ile Ala Cys Phe
Ile Ala Phe Cys
Ile Cys Ala Phe
Ile Cys Phe Ala
Ile Phe Ala Cys
Ile Phe Cys Ala
Leu Ala Cys Phe
Leu Ala Phe Cys
Leu Cys Ala Phe
Leu Cys Phe Ala
Leu Phe Ala Cys
Leu Phe Cys Ala
Met Phe Gly Val
Met Phe Val Gly
Met Gly Phe Val
Met Gly Val Phe
Met Val Phe Gly
Met Val Gly Phe
Pro Ala Glu His
Pro Ala His Glu
Pro Glu Ala His
Pro Glu His Ala
Pro His Ala Glu
Pro His Glu Ala
2H-Indol-2-one, 4-[2-(dipropylamino)ethyl]-1,3-dihydro-7-hydroxy- glucuronide
Val Phe Gly Met
Val Phe Met Gly
Val Gly Phe Met
Val Gly Met Phe
Val Met Phe Gly
Val Met Gly Phe
8-Butanoylneosolaniol
8-Isobutanoylneosolaniol
3-Hydroxy-4-(3-hydroxy-1-propen-2-yl)-2-(3-methoxy-3-oxo-1-propen-2-yl)-5-methyl-5-vinylcyclohexyl 4-acetoxy-3-hydroxy-2-methylenebutanoate
2-[4-[2-[4-[2-(2-methylprop-2-enoyloxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethyl 2-methylprop-2-enoate
Dexamethasone Acetate
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid D000893 - Anti-Inflammatory Agents
3-(8-((Dimethylamino)methyl)-6,7,8,9-tetrahydropyrido(1,2-a)indol-10-yl)-4-(1-methyl-1H-indol-3-yl)-1H-pyrrole-2,5-dione
N-((1S)-1-(3-Chloro-1-naphthalenyl)ethyl)-2-(4-(4-fluorophenyl)-1-methyl-4-P iperidinyl)-N-methylacetamide
1-Benzyl-2,3-dimethylguanidinium sulphate (2:1)
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013565 - Sympatholytics C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents
phosphono [(2E,7S,10E)-3,7,11,15-tetramethylhexadeca-2,10,14-trienyl] hydrogen phosphate
Bethanidine Sulfate
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013565 - Sympatholytics C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents
bis{N-[(benzylamino)(methylamino)methylidene]methanaminium} sulfate
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013565 - Sympatholytics D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents
Arisugacin C
An organic heterotetracyclic compound that is 4,4,6a,12b-tetramethyl-1,4a,5,6,6a,12,12a,12b-octahydro-2H,11H-benzo[f]pyrano[4,3-b]chromene-3,11(4H)-dione substituted at position 4a by a hydroxy and and at position 9 by 4-methoxyphenyl group (the 4aS,6aR,12aR,12bR stereoisomer). Isolated from the culture broth of Penicillium, it acts as a selective inhibitor of acetylcholinesterase.
[2-Methoxy-5-[[4-(4-methylphenyl)-1-phthalazinyl]amino]phenyl]-(1-piperidinyl)methanone
15,16-epoxy-8alpha-(benzoyloxy)methyl-2R-hydroxycleroda-3,13(16),14-trien-18-oic acid, (rel)-
A natural product found in Dodonaea polyandra.
1-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-[4-(2-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]-3-(4-methoxyphenyl)urea
1-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-[4-(2-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]-3-(4-methoxyphenyl)urea
1-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-[4-(2-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]-3-(4-methoxyphenyl)urea
1-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-[4-(2-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]-3-(4-methoxyphenyl)urea
1-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-[4-(2-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]-3-(4-methoxyphenyl)urea
1-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-[4-(2-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]-3-(4-methoxyphenyl)urea
1-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-[4-(3-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]-3-(2-methoxyphenyl)urea
1-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-[4-(2-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]-3-(4-methoxyphenyl)urea
1-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-[4-(3-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]-3-(2-methoxyphenyl)urea
1-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-[4-(3-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]-3-(2-methoxyphenyl)urea
1-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-[4-(3-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]-3-(2-methoxyphenyl)urea
1-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-[4-(2-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]-3-(4-methoxyphenyl)urea
1-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-[4-(3-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]-3-(2-methoxyphenyl)urea
1-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-[4-(3-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]-3-(2-methoxyphenyl)urea
1-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-[4-(3-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]-3-(2-methoxyphenyl)urea
1-[(3aS,4S,9bS)-4-(hydroxymethyl)-8-[2-(2-methoxyphenyl)ethynyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-2-phenylethanone
(5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-azaniumyl-2-carboxylatoethyl]sulfanyl}-5-hydroxy-20-oxoicosa-7,9,11,14-tetraenoate
[4-[Hydroxy(diphenyl)methyl]-1-triazolyl]-[4-(phenylmethyl)-1-piperidinyl]methanone
20-oxoleukotriene E4(1-)
A leukotriene anion that is the conjugate base of leukotriene E4 obtained by deprotonation of the two carboxy groups and protonation of the cysteinyl alpha-amino group; major species at pH 7.3.
(-)-(S)-B-973B
(-)-(S)-B-973B is a potent allosteric agonist and positive allosteric modulator of α7 nAChR, with antinociceptive activity[1]. (-)-(S)-B-973B is a potent allosteric agonist and positive allosteric modulator of α7 nAChR, with antinociceptive activity[1].
KT172
KT172 is a DAGLβ inhibitor with an IC50 value of 11 nM. KT172 can be used for the research of metabolic and inflammatory[1].
7-hydroxy-2-(2-hydroxy-4-methoxyphenyl)-5-methoxy-8-[5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]-2,3-dihydro-1-benzopyran-4-one
4,8-bis(acetyloxy)-2-[2-(acetyloxy)ethylidene]-6,10-dimethyl-11-oxoundeca-5,9-dien-1-yl acetate
(2s)-5,7-dihydroxy-2-[4-hydroxy-2-methoxy-5-(3-methylbut-2-en-1-yl)phenyl]-6-methyl-8-(3-methylbut-2-en-1-yl)-2,3-dihydro-1-benzopyran-4-one
(2s)-5-hydroxy-2-(2-hydroxy-4-methoxyphenyl)-7-methoxy-6-[(2s)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]-2,3-dihydro-1-benzopyran-4-one
(2r)-7-{[(2e)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-5,10-dihydroxy-2-methyl-4-oxo-1,3-dihydroanthracen-2-yl acetate
13-[(benzoyloxy)methyl]-1-hydroxy-8-isopropyl-2-methyl-15-oxatetracyclo[10.2.1.0²,¹⁰.0⁵,⁹]pentadeca-8,13-diene-5-carboxylic acid
[(2r,3s,4s,5r,6r)-6-{[(3as,8ar,9ar)-8a-methyl-3-methylidene-2-oxo-3ah,4h,6h,7h,8h,9h,9ah-naphtho[2,3-b]furan-5-yl]methoxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate
(2s)-9-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-5,7,10-trihydroxy-2-methyl-4-oxo-1,3-dihydroanthracen-2-yl acetate
(2e,4r,6e,8r,10z)-8,12-bis(acetyloxy)-10-[(acetyloxy)methyl]-2,6-dimethyl-1-oxododeca-2,6,10-trien-4-yl acetate
2'-methoxykurarinone
{"Ingredient_id": "HBIN005915","Ingredient_name": "2'-methoxykurarinone","Alias": "NA","Ingredient_formula": "C27H32O6","Ingredient_Smile": "CC(=CCC(CC1=C2C(=C(C=C1O)OC)C(=O)CC(O2)C3=C(C=C(C=C3)O)OC)C(=C)C)C","Ingredient_weight": "452.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT16513","TCMID_id": "13978","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "133561937","DrugBank_id": "NA"}