Exact Mass: 444.2543
Exact Mass Matches: 444.2543
Found 237 metabolites which its exact mass value is equals to given mass value 444.2543
,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Bufotalin
Bufotalin is a steroid lactone. It is functionally related to a bufanolide. Bufotalin is a natural product found in Bufo gargarizans, Duttaphrynus melanostictus Bufotalin is a cardiotoxic bufanolide steroid, cardiac glycoside analogue, secreted by a number of toad species.[2][3] Bufotalin can be extracted from the skin parotoid glands of several types of toad. Rhinella marina (Cane toad), Rhaebo guttatus (Smooth-sided toad), Bufo melanostictus (Asian toad), and Bufo bufo (common European toad) are sources of bufotalin. Traditional medicine Bufotalin is part of Ch'an Su, a traditional Chinese medicine used for cancer. It is also known as Venenum Bufonis or senso (Japanese).[5] Toxicity Specifically, in cats the lethal median dose is 0.13 mg/kg.[1] and in dogs is 0.36 mg/kg (intravenous).[6] Knowing this it is advisable to monitor those functions continuously using an EKG. As there is no antidote against bufotalin all occurring symptoms need to be treated separately or if possible in combination with others. To increase the clearance theoretically, due to the similarities with digitoxin, cholestyramine, a bile salt, might help.[6] Recent animal studies have shown that taurine restores cardiac functions.[7] Symptomatic measures include lignocaine, atropine and phenytoin for cardiac toxicity and intravenous potassium compounds to correct hyperkalaemia from its effect on the Na+/K+ ATPase pump.[6] Pharmacology and mechanism of action After a single intravenous injection, bufotalin gets quickly distributed and eliminated from the blood plasma with a half-time of 28.6 minutes and a MRT of 14.7 min. After 30 minutes after an administration of bufotalin, the concentrations within the brain and lungs are significantly higher than those in blood and other tissues.[8] It also increases cancer cell's susceptibility to apoptosis via TNF-α signalling by the BH3 interacting domain death agonist and STAT proteins.[9] Bufotalin induces apoptosis in vitro in human hepatocellular carcinoma Hep 3B cells and might involve caspases and apoptosis inducing factor (AIF).[10] The use of bufotalin as a cancer treating compound is still in the experimental phase. It also arrests cell cycle at G(2)/M, by up- and down- regulation of several enzymes. Bufotalin. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=471-95-4 (retrieved 2024-06-29) (CAS RN: 471-95-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Bufotalin is a steroid lactone isolated from Venenum Bufonis with potently antitumor activities. Bufotalin induces cancer cell apoptosis and also induces endoplasmic reticulum (ER) stress activation[1][2]. Bufotalin is a steroid lactone isolated from Venenum Bufonis with potently antitumor activities. Bufotalin induces cancer cell apoptosis and also induces endoplasmic reticulum (ER) stress activation[1][2].
sn-3-O-(geranylgeranyl)glycerol 1-phosphate
Antibiotic GR 95647X
Antibiotic GR 95647X is a constituent of Eucalyptus globulus (Tasmanian blue gum). Constituent of Eucalyptus globulus (Tasmanian blue gum).
1-[O-2-(2-methyldecanoyl)] murrangatin|paniculacin
4-Hydroxy-2-[13-(3,4-methylenedioxyphenyl)tridecanoyl]cyclohexane-1,3-dione
2-[13-(1,3-Benzodioxole-5-yl)tridecanoyl]-3,6-dihydroxy-2-cyclohexene-1-one
(1S)-O4-(4-methyl-3-methylamino-beta-L-3-deoxy-arabinopyranosyl)-O6-(6-methyl-2-oxa-5-aza-bicyclo[2.2.2]oct-5-en-3-yl)-2-deoxy-streptamine|Gentamicin I-1
espinasanolide-(angelate) methyl ester|espinasanolide- methyl ester
Ala Ala Gln Arg
Ala Ala Arg Gln
Ala Glu Ile Ile
Ala Glu Ile Leu
Ala Glu Leu Ile
Ala Glu Leu Leu
Ala Ile Glu Ile
Ala Ile Glu Leu
Ala Ile Ile Glu
Ala Ile Leu Glu
Ala Leu Glu Ile
Ala Leu Glu Leu
Ala Leu Ile Glu
Ala Leu Leu Glu
Ala Gln Ala Arg
Ala Gln Arg Ala
Ala Arg Ala Gln
Ala Arg Gln Ala
Asp Ile Val Val
Asp Leu Val Val
Asp Val Ile Val
Asp Val Leu Val
Asp Val Val Ile
Asp Val Val Leu
Glu Ala Ile Ile
Glu Ala Ile Leu
Glu Ala Leu Ile
Glu Ala Leu Leu
Glu Ile Ala Ile
Glu Ile Ala Leu
Glu Ile Ile Ala
Glu Ile Leu Ala
Glu Leu Ala Ile
Glu Leu Ala Leu
Glu Leu Ile Ala
Glu Leu Leu Ala
Glu Val Val Val
Gly Gly Arg Arg
Gly Asn Arg Val
Gly Asn Val Arg
Gly Arg Gly Arg
Gly Arg Asn Val
Gly Arg Arg Gly
Gly Arg Val Asn
Gly Val Asn Arg
Gly Val Arg Asn
Ile Ala Glu Ile
Ile Ala Glu Leu
Ile Ala Ile Glu
Ile Ala Leu Glu
Ile Asp Val Val
Ile Glu Ala Ile
Ile Glu Ala Leu
Ile Glu Ile Ala
Ile Glu Leu Ala
Ile Ile Ala Glu
Ile Ile Glu Ala
Ile Leu Ala Glu
Ile Leu Glu Ala
Ile Val Asp Val
Ile Val Val Asp
Leu Ala Glu Ile
Leu Ala Glu Leu
Leu Ala Ile Glu
Leu Ala Leu Glu
Leu Asp Val Val
Leu Glu Ala Ile
Leu Glu Ala Leu
Leu Glu Ile Ala
Leu Glu Leu Ala
Leu Ile Ala Glu
Leu Ile Glu Ala
Leu Leu Ala Glu
Leu Leu Glu Ala
Leu Val Asp Val
Leu Val Val Asp
Asn Gly Arg Val
Asn Gly Val Arg
Asn Arg Gly Val
Asn Arg Val Gly
Asn Val Gly Arg
Asn Val Arg Gly
Gln Ala Ala Arg
Gln Ala Arg Ala
Gln Arg Ala Ala
Arg Ala Ala Gln
Arg Ala Gln Ala
Arg Gly Gly Arg
Arg Gly Asn Val
Arg Gly Arg Gly
Arg Gly Val Asn
Arg Asn Gly Val
Arg Asn Val Gly
Arg Gln Ala Ala
Arg Arg Gly Gly
Arg Val Gly Asn
Arg Val Asn Gly
Val Asp Ile Val
Val Asp Leu Val
Val Asp Val Ile
Val Asp Val Leu
Val Glu Val Val
Val Gly Asn Arg
Val Gly Arg Asn
Val Ile Asp Val
Val Ile Val Asp
Val Leu Asp Val
Val Leu Val Asp
Val Asn Gly Arg
Val Asn Arg Gly
Val Arg Gly Asn
Val Arg Asn Gly
Val Val Asp Ile
Val Val Asp Leu
Val Val Glu Val
Val Val Ile Asp
Val Val Leu Asp
Val Val Val Glu
LPA O-20:4
N-(3-Amino-4-chlorophenyl)-4-(2,4-di-tert-pentylphenoxy)butanamide
Lovastatin hydroxy acid sodium
Lovastatin hydroxy acid sodium (Mevinolinic acid sodium) is a highly potent inhibitor of HMG-CoA reductase with a Ki of 0.6 nM[1].
2-Chloro-1,3-bis(2,6-diisopropylphenyl)-1,3,2-diazaphospholidine
[(6S)-17-(3,5-dihydroxyphenyl)heptadecan-6-yl] hydrogen sulate
Xyloketal E
A xyloketal with formula C26H36O6. It was initially isolated from the mangrove fungus Xylaria sp. from the South China sea coast.
asnovolin K
A meroterpenoid with formula C26H36O6 isolated from the fungus Aspergillus novofumigatus. It is an intermediate produced in the biosynthetic pathway leading to the synthesis of novofumigatonin.
N-[[(8R,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide
N-[[(8R,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide
N-[[(8R,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide
N-[[(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide
N-[[(8S,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide
N-[[(8R,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide
N-[[(8S,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide
N-[[(8S,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide
N-[[(8S,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide
N-[[(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide
N-[[(8S,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide
N-[[(8R,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide
N-[[(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide
N-[[(8S,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide
N-[[(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide
N-[[(8R,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide
6-(Isobutyldimethylsilyl)-2-(pentamethyldisilanyl)-5-(trimethylsilyl)naphthalene
1-[2,4-dihydroxy-6-(2-oxopropyl)phenyl]-11-hydroxy-2,4,6,8,10-pentamethyldodeca-6,8-diene-3,5-dione
8a-hydroxy-3,4a,5-trimethyl-9-[(2-methylbut-2-enoyl)oxy]-4h,5h,6h,7h,8h,9h-naphtho[2,3-b]furan-4-yl 3-methylpent-2-enoate
methyl 14-acetyl-14-hydroxy-2,6,6,10,13-pentamethyl-16-methylidene-7,15-dioxotetracyclo[11.2.1.0²,¹¹.0⁵,¹⁰]hexadecane-1-carboxylate
10-[4-(acetyloxy)-5-(2-methylprop-1-en-1-yl)-2-oxooxolan-3-ylidene]-3,7-dimethyldeca-2,6-dien-1-yl 2-methylprop-2-enoate
[(1r,6s)-6-{[(1s,4as,8as)-5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]methyl}-2,5-dioxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]methyl (3s)-3-hydroxybutanoate
5-{10,11-dihydroxy-2,6,15,19-tetramethyl-3,8-dioxatetracyclo[9.8.0.0²,⁷.0¹²,¹⁷]nonadeca-14,18-dien-9-yl}penta-2,4-dienoic acid
2-[11-(2-methoxypropan-2-yl)-8-methyl-3-oxo-5-(2-oxopropyl)-4-oxatricyclo[6.3.1.0²,⁶]dodec-2(6)-en-7-yl]ethenyl 3-methylbut-2-enoate
(3r,8as)-5-propyl-3-(tetradecyloxy)-1h,8h,8ah-3λ⁵-furo[3,4-e][1,3,2]dioxaphosphepine-3,6-dione
(3r,8ar)-3-(hexadecyloxy)-5-methyl-1h,8h,8ah-3λ⁵-furo[3,4-e][1,3,2]dioxaphosphepine-3,6-dione
2-[2,7-dihydroxy-3-methyl-5-(2-oxopropyl)-3,4-dihydro-1-benzopyran-2-yl]-9-hydroxy-4,6,8-trimethyldeca-4,6-dien-3-one
3-(hexadecyloxy)-5-methyl-1h,8h,8ah-3λ⁵-furo[3,4-e][1,3,2]dioxaphosphepine-3,6-dione
15-o-methyl-18-oxoneovibsanin f
{"Ingredient_id": "HBIN001711","Ingredient_name": "15-o-methyl-18-oxoneovibsanin f","Alias": "NA","Ingredient_formula": "C26H36O6","Ingredient_Smile": "CC(=CC(=O)OC=CC1C2=C(C3CC1(CCC3C(C)(C)OC)C)C(=O)OC2CC(=O)C)C","Ingredient_weight": "444.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14640","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "11351274","DrugBank_id": "NA"}