Exact Mass: 558.2986
Exact Mass Matches: 558.2986
Found 500 metabolites which its exact mass value is equals to given mass value 558.2986
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Cucurbitacin B
Together wth other cucurbitacins, is responsible for the bitter taste and toxic props. of spoilt cucumbers. Cucurbitacin B is found in many foods, some of which are muskmelon, bitter gourd, green vegetables, and cucumber. Cucurbitacin B is found in bitter gourd. Together wth other cucurbitacins, is responsible for the bitter taste and toxic properties of spoilt cucumber Cucurbitacin B is a cucurbitacin in which a lanostane skeleton is multi-substituted with hydroxy, methyl and oxo substituents, with unsaturation at positions 5 and 23; a hydroxy function at C-25 is acetylated. It is a cucurbitacin, a secondary alpha-hydroxy ketone and a tertiary alpha-hydroxy ketone. It derives from a hydride of a lanostane. Cucurbitacin B is a natural product found in Begonia plebeja, Trichosanthes miyagii, and other organisms with data available. Cucurbitacin B belongs to a class of highly oxidized tetracyclic triterpenoids and is oral active. Cucurbitacin B inhibits tumor cell growth, migration and invasion and cycle arrest, but induces cell apoptosis. Cucurbitacin B has potent anti-inflammatory, antioxidant, antiviral, hypoglycemic, hepatoprotective, neuroprotective activity[1][2][3][4][5]. Cucurbitacin B belongs to a class of highly oxidized tetracyclic triterpenoids and is oral active. Cucurbitacin B inhibits tumor cell growth, migration and invasion and cycle arrest, but induces cell apoptosis. Cucurbitacin B has potent anti-inflammatory, antioxidant, antiviral, hypoglycemic, hepatoprotective, neuroprotective activity[1][2][3][4][5]. (+)-Cucurbitacin B. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=6199-67-3 (retrieved 2024-08-12) (CAS RN: 6199-67-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
Glycinoeclepin B
Constituent of root of Phaseolus vulgaris (kidney bean). Glycinoeclepin B is found in pulses, yellow wax bean, and green bean. Glycinoeclepin B is found in pulses. Glycinoeclepin B is a constituent of root of Phaseolus vulgaris (kidney bean).
3-Pyrrolidinecarboxylic acid, 4-(1,3-benzodioxol-5-yl)-1-(2-((2,6-diethylphenyl)amino)-2-oxoethyl)-2-(4-propoxyphenyl)-, (2R,3R,4S)-
Annomuricatin A
Constituent of the seeds of Annona muricata (soursop). Annomuricatin A is found in fruits.
Isocucurbitacin B
Isocucurbitacin B is a natural product found in Helicteres isora, Cucurbita foetidissima, and other organisms with data available.
Denticulaflavonol
Gamabufotalin-3-hemisuberat|Gamabufotalin-3-suberate|Korksaeure-mono-(3-gamabufotalylester)|Korksaeure-mono-3-gamabufotalylester
Petuniasterone C 22-O-<(methylthio)-carbonyl>acetate|Petuniasterone C 22-O-[(methylthio)-carbonyl]acetate|petuniasterone C-22-O-[(methylthio)carbonyl]-acetate
petuniasterone A|petuniasterone A ( 22,24,25-<(methylthio)carbonyl>orthoacetate of (22R,24R)-7alpha-22,24,25-tetrahydroxyergosta-1,4-dien-3-one )
14alpha,15beta-diacetoxy-3alpha,8alpha-di-(4-methylsenecioyloxy)-14beta,15alpha-epoxy-alpha-isocedrene|14alpha,15beta-diacetoxy-3alpha,8alpha-di-<4-methylsenecioyloxy>-14beta,15alpha-epoxy-alpha-isocedrene
12beta-acetoxy-3beta,7beta-dihydroxy-11,15-dioxo-lanosta-8,24(E)-dien-26-oic acid|ganoderic acid GS-3
(7R,8R)-threo-(E)-9,9-diisovaleroyloxy-4-hydroxy-7,3,3-trimethoxy-7-en-8-O-4-neolignan
(3beta,15alpha)-3-(acetyloxy)-15-hydroxy-7,11,23-trioxolanost-8-en-26-oic acid|3-O-acetylganoderic acid K
(3beta,4beta,5beta,6beta,18R,22R)-5,6:18,20-diepoxy-3,18-diethoxy-4,22-dihydroxy-1-oxoergost-24-en-26-oic acid gamma-lactone|withaphysalin W
Cucurbitacin B
Cucurbitacin B belongs to a class of highly oxidized tetracyclic triterpenoids and is oral active. Cucurbitacin B inhibits tumor cell growth, migration and invasion and cycle arrest, but induces cell apoptosis. Cucurbitacin B has potent anti-inflammatory, antioxidant, antiviral, hypoglycemic, hepatoprotective, neuroprotective activity[1][2][3][4][5]. Cucurbitacin B belongs to a class of highly oxidized tetracyclic triterpenoids and is oral active. Cucurbitacin B inhibits tumor cell growth, migration and invasion and cycle arrest, but induces cell apoptosis. Cucurbitacin B has potent anti-inflammatory, antioxidant, antiviral, hypoglycemic, hepatoprotective, neuroprotective activity[1][2][3][4][5].
ent-16-acetoxy-15-hydroxy-7-hydroperoxypimar-8(14)-en-3-yl beta-glucopyranoside
ent-16-acetoxy-15-hydroxy-14-hydroperoxypimar-7-en-3-yl beta-glucopyranoside
(3beta,7beta)-3-(acetyloxy)-7-hydroxy-11,15,23-trioxolanost-8-en-26-oic acid|3-O-acetylganoderic acid B
His Lys Phe Lys
Phe Lys His Lys
Asp Ile Arg Arg
Asp Leu Arg Arg
Asp Arg Ile Arg
Asp Arg Leu Arg
Asp Arg Arg Ile
Asp Arg Arg Leu
Glu Lys Pro Trp
Glu Lys Trp Pro
Glu Pro Lys Trp
Glu Pro Trp Lys
Glu Arg Arg Val
Glu Arg Val Arg
Glu Val Arg Arg
Glu Trp Lys Pro
Glu Trp Pro Lys
Phe Phe Phe Val
Phe Phe Val Phe
Phe His Lys Lys
Phe His Lys Gln
Phe His Gln Lys
Phe Lys His Gln
Phe Lys Lys His
Phe Lys Gln His
Phe Gln His Lys
Phe Gln Lys His
Phe Val Phe Phe
His Phe Lys Lys
His Phe Lys Gln
His Phe Gln Lys
His Lys Phe Gln
His Lys Lys Phe
His Lys Gln Phe
His Gln Phe Lys
His Gln Lys Phe
Ile Asp Arg Arg
Ile Ile Gln Trp
Ile Ile Trp Gln
Ile Leu Gln Trp
Ile Leu Trp Gln
Ile Gln Ile Trp
Ile Gln Leu Trp
Ile Gln Trp Ile
Ile Gln Trp Leu
Ile Arg Asp Arg
Ile Arg Arg Asp
Ile Thr Tyr Tyr
Ile Trp Ile Gln
Ile Trp Leu Gln
Ile Trp Gln Ile
Ile Trp Gln Leu
Ile Tyr Thr Tyr
Ile Tyr Tyr Thr
Lys Glu Pro Trp
Lys Glu Trp Pro
Lys Phe His Lys
Lys Phe His Gln
Lys Phe Lys His
Lys Phe Gln His
Lys His Phe Lys
Lys His Phe Gln
Lys His Lys Phe
Lys His Gln Phe
Lys Lys Phe His
Lys Lys His Phe
Lys Pro Glu Trp
Lys Pro Trp Glu
Lys Gln Phe His
Lys Gln His Phe
Lys Gln Gln Arg
Lys Gln Arg Gln
Lys Arg Gln Gln
Lys Trp Glu Pro
Lys Trp Pro Glu
Leu Asp Arg Arg
Leu Ile Gln Trp
Leu Ile Trp Gln
Leu Leu Gln Trp
Leu Leu Trp Gln
Leu Gln Ile Trp
Leu Gln Leu Trp
Leu Gln Trp Ile
Leu Gln Trp Leu
Leu Arg Asp Arg
Leu Arg Arg Asp
Leu Thr Tyr Tyr
Leu Trp Ile Gln
Leu Trp Leu Gln
Leu Trp Gln Ile
Leu Trp Gln Leu
Leu Tyr Thr Tyr
Leu Tyr Tyr Thr
Met Pro Arg Arg
Met Arg Pro Arg
Met Arg Arg Pro
Asn Asn Arg Arg
Asn Arg Asn Arg
Asn Arg Arg Asn
Pro Glu Lys Trp
Pro Glu Trp Lys
Pro Lys Glu Trp
Pro Lys Trp Glu
Pro Met Arg Arg
Pro Arg Met Arg
Pro Arg Arg Met
Pro Arg Thr Trp
Pro Arg Trp Thr
Pro Thr Arg Trp
Pro Thr Trp Arg
Pro Trp Glu Lys
Pro Trp Lys Glu
Pro Trp Arg Thr
Pro Trp Thr Arg
Gln Phe His Lys
Gln Phe Lys His
Gln His Phe Lys
Gln His Lys Phe
Gln Ile Ile Trp
Gln Ile Leu Trp
Gln Ile Trp Ile
Gln Ile Trp Leu
Gln Lys Phe His
Gln Lys His Phe
Gln Lys Gln Arg
Gln Lys Arg Gln
Gln Leu Ile Trp
Gln Leu Leu Trp
Gln Leu Trp Ile
Gln Leu Trp Leu
Gln Gln Lys Arg
Gln Gln Gln Arg
Gln Gln Arg Lys
Gln Gln Arg Gln
Gln Arg Lys Gln
Gln Arg Gln Lys
Gln Arg Gln Gln
Gln Trp Ile Ile
Gln Trp Ile Leu
Gln Trp Leu Ile
Gln Trp Leu Leu
Arg Asp Ile Arg
Arg Asp Leu Arg
Arg Asp Arg Ile
Arg Asp Arg Leu
Arg Glu Arg Val
Arg Glu Val Arg
Arg Ile Asp Arg
Arg Ile Arg Asp
Arg Lys Gln Gln
Arg Leu Asp Arg
Arg Leu Arg Asp
Arg Met Pro Arg
Arg Met Arg Pro
Arg Asn Asn Arg
Arg Asn Arg Asn
Arg Pro Met Arg
Arg Pro Arg Met
Arg Pro Thr Trp
Arg Pro Trp Thr
Arg Gln Lys Gln
Arg Gln Gln Lys
Arg Gln Gln Gln
Arg Arg Asp Ile
Arg Arg Asp Leu
Arg Arg Glu Val
Arg Arg Ile Asp
Arg Arg Leu Asp
Arg Arg Met Pro
Arg Arg Asn Asn
Arg Arg Pro Met
Arg Arg Val Glu
Arg Thr Pro Trp
Arg Thr Trp Pro
Arg Val Glu Arg
Arg Val Arg Glu
Arg Val Val Trp
Arg Val Trp Val
Arg Trp Pro Thr
Arg Trp Thr Pro
Arg Trp Val Val
Thr Ile Tyr Tyr
Thr Leu Tyr Tyr
Thr Pro Arg Trp
Thr Pro Trp Arg
Thr Arg Pro Trp
Thr Arg Trp Pro
Thr Trp Pro Arg
Thr Trp Arg Pro
Thr Tyr Ile Tyr
Thr Tyr Leu Tyr
Thr Tyr Tyr Ile
Thr Tyr Tyr Leu
Val Glu Arg Arg
Val Phe Phe Phe
Val Arg Glu Arg
Val Arg Arg Glu
Val Arg Val Trp
Val Arg Trp Val
Val Val Arg Trp
Val Val Trp Arg
Val Trp Arg Val
Val Trp Val Arg
Trp Glu Lys Pro
Trp Glu Pro Lys
Trp Ile Ile Gln
Trp Ile Leu Gln
Trp Ile Gln Ile
Trp Ile Gln Leu
Trp Lys Glu Pro
Trp Lys Pro Glu
Trp Leu Ile Gln
Trp Leu Leu Gln
Trp Leu Gln Ile
Trp Leu Gln Leu
Trp Pro Glu Lys
Trp Pro Lys Glu
Trp Pro Arg Thr
Trp Pro Thr Arg
Trp Gln Ile Ile
Trp Gln Ile Leu
Trp Gln Leu Ile
Trp Gln Leu Leu
Trp Arg Pro Thr
Trp Arg Thr Pro
Trp Arg Val Val
Trp Thr Pro Arg
Trp Thr Arg Pro
Trp Val Arg Val
Trp Val Val Arg
Tyr Ile Thr Tyr
Tyr Ile Tyr Thr
Tyr Leu Thr Tyr
Tyr Leu Tyr Thr
Tyr Thr Ile Tyr
Tyr Thr Leu Tyr
Tyr Thr Tyr Ile
Tyr Thr Tyr Leu
Glycinoeclepin B
Cucurbitacin C7
2-benzofuran-1,3-dione,2,2-bis(hydroxymethyl)propane-1,3-diol,2,3-dihydroxypropyl dodecanoate
2-(2-hydroxyethoxy)ethanol,2-hydroxyethyl prop-2-enoate,5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane,oxepan-2-one
2-[benzyl(cyclohexyl)amino]-6-(diethylamino)spiro[isobenzofuran-1(3H),9-[9H]xanthene]-3-one
Ethyl (2E,4S)-4-[((2R)-2-{[N-(tert-butoxycarbonyl)-L-valyl]amino}-2-phenylethanoyl)amino]-5-[(3S)-2-oxopyrrolidin-3-YL]pent-2-enoate
3-Pyrrolidinecarboxylic acid, 4-(1,3-benzodioxol-5-yl)-1-(2-((2,6-diethylphenyl)amino)-2-oxoethyl)-2-(4-propoxyphenyl)-, (2R,3R,4S)-
N(1),N(8)-bis(sinapoyl)-spermidine(1+)
An ammonium ion resulting from the protonation of the non-acylated nitrogen of N(1),N(8)-bis(sinapoyl)-spermidine. The major species at pH 7.3.
4-[8,13-Bis(ethenyl)-3,7,12,17-tetramethyl-18-(3-oxobutyl)-22,23-dihydroporphyrin-2-yl]butan-2-one
[(E,6R)-6-[(2S,9R,10R,13R,14S,16R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate
[(2S,3R,4R,5S)-2-[(2R,3S,5S,10R,13S)-2,3-dihydroxy-10,13-dimethyl-6-oxo-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5-ethyl-4-hydroxy-6-methylheptan-3-yl] hydrogen sulfate
2-[[3-[(3E)-hexa-3,5-dienoyl]oxy-2-[(11E)-tetradeca-11,13-dienoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
23,24-dihydrocucurbitacin E
A 23,24-dihydrocucurbitacin in which a lanostane skeleton is multi-substituted with hydroxy, methyl and oxo substituents, with unsaturation at positions 1 and 5; a hydroxy function at C-25 is acetylated.
rel-12-O-(4Z)-Deca-4-enoylphorbol-13-acetate
A natural product found in Pimelea elongata.
tert-butyl [3-({3-[(S)-{6-[(1R)-1-benzylpropyl]-4-hydroxy-2-oxo-2H-pyran-3-yl}(cycloprop-2-en-1-yl)methyl]phenyl}amino)-3-oxopropyl]carbamate
N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[[4-(2-pyridinyl)phenyl]methyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide
N-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[[4-(2-pyridinyl)phenyl]methyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide
N-[[(10R,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide
N-[[(10R,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide
N-[[(10S,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide
N-[[(10S,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide
N-[[(10R,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide
N-[[(10S,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide
N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide
1-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea
1-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea
N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide
1-[(3S,9R,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(4-fluorophenyl)urea
1-[(3S,9R,10R)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(4-fluorophenyl)urea
1-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea
1-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea
1-[(3R,9S,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(4-fluorophenyl)urea
N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[[4-(2-pyridinyl)phenyl]methyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide
N-[(5S,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[[4-(2-pyridinyl)phenyl]methyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide
1-[(3S,9R,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(4-fluorophenyl)urea
1-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea
N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide
1-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea
1-[(3S,9S,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(4-fluorophenyl)urea
1-[(3R,9R,10S)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(4-fluorophenyl)urea
1-[(3S,9R,10S)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(4-fluorophenyl)urea
1-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea
1-[(3R,9S,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(4-fluorophenyl)urea
1-[(3R,9R,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(4-fluorophenyl)urea
1-[(3R,9R,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(4-fluorophenyl)urea
1-[(3R,9R,10R)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(4-fluorophenyl)urea
1-[(3R,9S,10S)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(4-fluorophenyl)urea
1-[(3S,9S,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(4-fluorophenyl)urea
1-[(3S,9S,10S)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(4-fluorophenyl)urea
1-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea
N-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[[4-(2-pyridinyl)phenyl]methyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide
N-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[[4-(2-pyridinyl)phenyl]methyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide
N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[[4-(2-pyridinyl)phenyl]methyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide
N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[[4-(2-pyridinyl)phenyl]methyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide
N-[[(10S,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide
[2-Hydroxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropyl] pentadecanoate
[3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate
[(2R)-1,1,2,3,3-pentadeuterio-2-hydroxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] pentadecanoate
[(2R)-1,1,3,3-tetradeuterio-2-hydroxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] pentadecanoate
2-[[3-butanoyloxy-2-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[[3-acetyloxy-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Cuc B
Cucurbitacin B is a cucurbitacin in which a lanostane skeleton is multi-substituted with hydroxy, methyl and oxo substituents, with unsaturation at positions 5 and 23; a hydroxy function at C-25 is acetylated. It is a cucurbitacin, a secondary alpha-hydroxy ketone and a tertiary alpha-hydroxy ketone. It derives from a hydride of a lanostane. Cucurbitacin B is a natural product found in Begonia plebeja, Trichosanthes miyagii, and other organisms with data available. A cucurbitacin in which a lanostane skeleton is multi-substituted with hydroxy, methyl and oxo substituents, with unsaturation at positions 5 and 23; a hydroxy function at C-25 is acetylated. Cucurbitacin B belongs to a class of highly oxidized tetracyclic triterpenoids and is oral active. Cucurbitacin B inhibits tumor cell growth, migration and invasion and cycle arrest, but induces cell apoptosis. Cucurbitacin B has potent anti-inflammatory, antioxidant, antiviral, hypoglycemic, hepatoprotective, neuroprotective activity[1][2][3][4][5]. Cucurbitacin B belongs to a class of highly oxidized tetracyclic triterpenoids and is oral active. Cucurbitacin B inhibits tumor cell growth, migration and invasion and cycle arrest, but induces cell apoptosis. Cucurbitacin B has potent anti-inflammatory, antioxidant, antiviral, hypoglycemic, hepatoprotective, neuroprotective activity[1][2][3][4][5].
1-pentadecanoyl-glycero-3-phospho-(1-myo-inositol)
(3e,5s,7r,8r,10r,11r,12r,13s,14s,15r,16s,18z,24s,25s)-2,13,14,20,24,27-hexahydroxy-11-[(1r)-1-methoxyethyl]-10-methyl-21,26-diazapentacyclo[23.2.1.0⁵,¹⁶.0⁷,¹⁵.0⁸,¹²]octacosa-1,3,18,20,26-pentaen-28-one
(2r,6r)-6-[(1r,3ar,4s,5ar,7s,9as,11ar)-7-(acetyloxy)-4-hydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid
(1'r,2r,4's,5s,6r,8'r,10'e,13'r,14'e,16'e,20'r,21'r,24's)-24'-hydroxy-22'-(hydroxymethyl)-21'-methoxy-5,6,11',13'-tetramethyl-3',7',19'-trioxaspiro[oxane-2,6'-tetracyclo[15.6.1.1⁴,⁸.0²⁰,²⁴]pentacosane]-10',14',16',22'-tetraen-2'-one
(1s)-1-[(1s,3s)-3-{2-[(1s,2s,4s)-4-hydroxy-1,5,5-trimethyl-3,6-dioxaspiro[bicyclo[2.2.2]octane-2,2'-oxan]-5'-ylidene]ethyl}-2,2-dimethyl-6-methylidenecyclohexyl]-2-(2-oxooxolan-3-ylidene)ethyl acetate
6-[7-(acetyloxy)-3-hydroxy-3a,6,6,9a,11a-pentamethyl-4,10-dioxo-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid
6,10,15,15-tetramethyl-7-[1-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-3,19-dioxo-16,20-dioxatetracyclo[12.6.0.0¹,¹⁷.0⁶,¹⁰]icosan-4-yl acetate
6-ethyl-21',24'-dihydroxy-22'-(hydroxymethyl)-5,11',13'-trimethyl-3',7',19'-trioxaspiro[oxane-2,6'-tetracyclo[15.6.1.1⁴,⁸.0²⁰,²⁴]pentacosane]-10',14',16',22'-tetraen-2'-one
(1r,2s,3s,4's,6s,8s,9r,11s,12s,13s,15r,17r,18s,20s,21r)-8-(acetyloxy)-4',5',5',11,17-pentamethyl-14,16,19-trioxaspiro[heptacyclo[11.8.1.1²,²⁰.0¹,¹⁵.0³,¹².0⁶,¹¹.0¹⁷,²¹]tricosane-18,2'-oxolan]-9-yl acetate
(2r)-1-[(1s,2s,3'r,3as,3bs,4r,4'r,9ar,9br,11as)-4-(acetyloxy)-2-hydroxy-3',9a,11a-trimethyl-7-oxo-3,3a,3b,4,5,9b,10,11-octahydro-2h-spiro[cyclopenta[a]phenanthrene-1,2'-oxetan]-4'-yl]-3-hydroxy-2,3-dimethylbutan-2-yl acetate
3-{4-hydroxy-9a,11a-dimethyl-7-oxo-1h,2h,3h,3ah,3bh,4h,5h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl}-1-(2,3,3-trimethyloxiran-2-yl)butan-2-yl 3-(methylsulfanyl)-3-oxopropanoate
2-hydroxy-3-[(8z)-16-(2-hydroxy-5-methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)hexadec-8-en-1-yl]-5,6-dimethoxycyclohexa-2,5-diene-1,4-dione
8-(acetyloxy)-4',5',5',11,17-pentamethyl-14,16,19-trioxaspiro[heptacyclo[11.8.1.1²,²⁰.0¹,¹⁵.0³,¹².0⁶,¹¹.0¹⁷,²¹]tricosane-18,2'-oxolan]-9-yl acetate
[(1r,2r,3r,4s,5r,6s,8r,9r,10r,13s,16s,17r,18r)-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-13-yl]methyl 2-aminobenzoate
(1r,3as,3bs,4r,9ar,9bs,11ar)-4-hydroxy-9a,11a-dimethyl-1-[(1s)-1-[(1s,3r,5r)-5,6,6-trimethyl-1-[2-(methylsulfanyl)-2-oxoethyl]-2,7,8-trioxabicyclo[3.2.1]octan-3-yl]ethyl]-1h,2h,3h,3ah,3bh,4h,5h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one
3-epi-isocucurbitacin b
{"Ingredient_id": "HBIN008480","Ingredient_name": "3-epi-isocucurbitacin b ","Alias": "NA","Ingredient_formula": "C32H46O8","Ingredient_Smile": "CC(=O)OC(C)(C)C=CC(=O)C(C)(C1C(CC2(C1(CC(=O)C3(C2CC=C4C3CC(=O)C(C4(C)C)O)C)C)C)O)O","Ingredient_weight": "558.7 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "20939","PubChem_id": "123134757","DrugBank_id": "NA"}