Exact Mass: 550.213565
Exact Mass Matches: 550.213565
Found 500 metabolites which its exact mass value is equals to given mass value 550.213565
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Genipin
Genipin 1-beta-gentiobioside is a terpene glycoside. Genipin 1-gentiobioside is a natural product found in Gardenia jasminoides and Genipa americana with data available. Genipin 1-β-D-gentiobioside (Genipin 1-gentiobioside) is one of the most abundant and bioactive iridoid glycosides in Gardenia jasminoides Ellis, which possesses hepatoprotective, anti-inflammatory, antioxidant, and antithrombotic activities. Genipin 1-β-D-gentiobioside (Genipin 1-gentiobioside) is one of the most abundant and bioactive iridoid glycosides in Gardenia jasminoides Ellis, which possesses hepatoprotective, anti-inflammatory, antioxidant, and antithrombotic activities.
Eucommin A
Lappaol B
Tracheloside
Constituent of Carthamus tinctorius (safflower). Tracheloside is found in safflower, fats and oils, and herbs and spices. Tracheloside is found in fats and oils. Tracheloside is a constituent of Carthamus tinctorius (safflower) Tracheloside is an antiestrogenic lignin. Tracheloside promotes keratinocyte proliferation through ERK1/2 stimulation. Tracheloside is a good candidate to promote wound healing[1]. Tracheloside is an antiestrogenic lignin. Tracheloside promotes keratinocyte proliferation through ERK1/2 stimulation. Tracheloside is a good candidate to promote wound healing[1].
Scorzonoside
Constituent of Scorzonera hispanica (scorzonera). Scorzonoside is found in coffee and coffee products and root vegetables. Scorzonoside is found in coffee and coffee products. Scorzonoside is a constituent of Scorzonera hispanica (scorzonera).
Genipin 1-gentiobioside
Lappaol B
Lappaol b is a member of the class of compounds known as 2-arylbenzofuran flavonoids. 2-arylbenzofuran flavonoids are phenylpropanoids containing the 2-phenylbenzofuran moiety. Lappaol b is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Lappaol b can be found in burdock, which makes lappaol b a potential biomarker for the consumption of this food product.
2-Hydroxyarctiin
2-hydroxyarctiin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 2-hydroxyarctiin can be found in safflower, which makes 2-hydroxyarctiin a potential biomarker for the consumption of this food product.
Tracheloside
Tracheloside is a glycoside and a lignan. It has a role as a metabolite. Tracheloside is a natural product found in Carthamus oxyacanthus, Trachelospermum asiaticum, and other organisms with data available. A natural product found particularly in Carthamus tinctorius and Trachelospermum. Tracheloside is an antiestrogenic lignin. Tracheloside promotes keratinocyte proliferation through ERK1/2 stimulation. Tracheloside is a good candidate to promote wound healing[1]. Tracheloside is an antiestrogenic lignin. Tracheloside promotes keratinocyte proliferation through ERK1/2 stimulation. Tracheloside is a good candidate to promote wound healing[1].
Rel-5-Hydroxy-7,4-dimethoxy-3S-(2,4,5-trimethoxy-Estyryl)tetrahydrofuro[4R,5R:2,3]flavanonol
Mortonol B
Rel-5-hydroxy-7,4-dimethoxy-2S-(2,4,5-trimethoxy-E-styryl)-tetrahydrofuro[4R,5R:2,3]flavanonol
pseudolaric acid A O-beta-d-glucopyranoside
Pseudolaric acid A-O-β-D-glucopyranoside, isolated from Cortex Pseudolaricis, demonstrates antifungal and antifertility activities[1]. Pseudolaric acid A-O-β-D-glucopyranoside, isolated from Cortex Pseudolaricis, demonstrates antifungal and antifertility activities[1].
(Z)--3-(2-(4-hydroxy-3-(3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-oxopropan-2-yl)-5-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydrobenzofuran-5-yl)acrylaldehyde|herpepropenal
(1R*,2R*,3S*,5Z,7S*,8S*,9S*,10S*,11R*,12S*,14S*,17R*)-2,3,14-triacetoxy-8,9,11,12-bisepoxy-17-hydroxybriar-5-en-18-one
methyl (1S,5R)-1-[(beta-D-glucopyranosyl)oxy]-1,4a,5,7a-tetrahydro-5-hydroxy-7-{[(alpha-L-rhamnopyranosyl)oxy]methyl}cyclopenta[c]pyran-4-carboxylate|teneoside B
obochalcolactone
A member of the class of chalcones isolated from the trunk barks of Cryptocarya obovata and has been shown to exhibit cytotoxicity against the KB cell line.
10-O-beta-D-glucopyranosyl geniposide|genameside D|genipin 1,10-di-O-beta-D-glucopyranoside
4-[beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranosyloxy]-3-(methoxyphenyl)propiophenone
(2E)-1-{2,4-dihydroxy-3-[(1R,2E,5R)-5-hydroxy-1-(4-hydroxyphenyl)-7-phenyl-2-hepten-1-yl]-6-methoxyphenyl}-3-phenyl-2-propen-1-one|Alpinnanin B|ent-alpinnanin B
michaolide J
A cembrane diterpenoid with cytotoxic activity isolated from the soft coral Lobophytum michaelae.
3,3,5-trimethoxy-4,7-epoxy-8,5-neolign-7-ene-4,9,9-triol 9-beta-D-glucopyranoside|[2-(4-hydroxy-3,5-dimethoxyphenyl)-5-(3-hydroxypropyl)-7-methoxybenzofuran-3-yl]methyl beta-D-glucopyranoside
(1R,3aS,4Z,8S,8aR,9S,12aS,13S,13aR)-8,9,13-tris(acetyloxy)-5-[(acetyloxy)methyl]-3a,6,7,8,8a,9,10,11,12,12a,13,13a-dodecahydro-13a-hydroxy-1,8a-dimethyl-12-methylidenebenzo[4,5]cyclodeca[1,2-b]furan-2(1H)-one|junceellonoid B
4-acetate-1,2,3,5-tetrakis(2-methyl-2-butenoate)inositol
3-acetate-1,2,4,5-tetrakis(2-methyl-2-butenoate)inositol
7beta,9,10beta,20-tetracetoxy-13beta,17-epoxy-3,8-secotaxa-3E,8E,11-triene-2alpha,5alpha-diol|canataxpyran A
7-hydroxy-8-(4-cinnamoyl-3-methyl-1-oxobutyl)-4-phenyl-2,2-dimethyl-2H,6H-benzo[1.2-b:3,4-b]-dipyran-2-one
(5R,6R,8S,9R,10S,12S)-15,16-epoxy-2-oxo-6-O-(beta-D-glucopyranosyl)-cleroda-3,13(16),14-trien-17,12-olid-18-oic acid methyl ester
5-methoxy-(E)-resveratrol 3-O-rutinoside|trans-4,5-dihydroxy-3-methoxystilbene-5-O-[alpha-L-rhamnopyranosyl-(1->6)]-beta-D-glucopyranoside
1, 1-[[2, 4-Bis(6-methoxy-1, 3-benzodioxol-5-yl)-1, 3-cyclobutanediyl]dicarbonyl]bispyrrolidine, 9CI
C30H34N2O8 (550.2315044000001)
5-hydroxy-6-(4-cinnamoyl-3-methyl-1-oxobutyl)-4-phenyl-2,2-dimethyl-2H,6H-benzo[1.2-b:3,4-b]-dipyran-2-one
15-hydroxysolanascone-beta-glucopyranoside tetraacetate
(1R*,3aS*,4Z,8S*,8aS*,9S*,11R*,12aS*,13S*,13aS*)-1,2,3a,6,7,8,8a,9,10,11,12,12a,13,13a-tetradecahydro-13a-hydroxy-1,5,8a-trimethyl-12-methylidene-2-oxobenzo[4,5]cyclodeca[1,2-b]furan-8,9,11,13-tetrayl tetraacetate|frajunolide A|rel-(1S,2S,5Z,7S,8S,9S,10S,12R,14S,17R)-2,9,12,14-tetraacetoxy-8-hydroxybriara-5,11(20)-dien-18,7-olide
PseudolaricacidAbeta-D-glucoside
PseudolaricacidAbeta-D-glucoside is a natural product found in Pseudolarix amabilis and Larix kaempferi with data available. Pseudolaric acid A-O-β-D-glucopyranoside, isolated from Cortex Pseudolaricis, demonstrates antifungal and antifertility activities[1]. Pseudolaric acid A-O-β-D-glucopyranoside, isolated from Cortex Pseudolaricis, demonstrates antifungal and antifertility activities[1].
Genipin-gentiobioside
Genipin 1-β-D-gentiobioside (Genipin 1-gentiobioside) is one of the most abundant and bioactive iridoid glycosides in Gardenia jasminoides Ellis, which possesses hepatoprotective, anti-inflammatory, antioxidant, and antithrombotic activities. Genipin 1-β-D-gentiobioside (Genipin 1-gentiobioside) is one of the most abundant and bioactive iridoid glycosides in Gardenia jasminoides Ellis, which possesses hepatoprotective, anti-inflammatory, antioxidant, and antithrombotic activities.
Genipin 1-gentiobioside
Genipin 1-β-D-gentiobioside (Genipin 1-gentiobioside) is one of the most abundant and bioactive iridoid glycosides in Gardenia jasminoides Ellis, which possesses hepatoprotective, anti-inflammatory, antioxidant, and antithrombotic activities. Genipin 1-β-D-gentiobioside (Genipin 1-gentiobioside) is one of the most abundant and bioactive iridoid glycosides in Gardenia jasminoides Ellis, which possesses hepatoprotective, anti-inflammatory, antioxidant, and antithrombotic activities.
Cys Asp Lys Trp
C24H34N6O7S (550.2209574000001)
Cys Asp Gln Trp
Cys Asp Trp Lys
C24H34N6O7S (550.2209574000001)
Cys Asp Trp Gln
Cys Glu His Tyr
Cys Glu Asn Trp
Cys Glu Trp Asn
Cys Glu Tyr His
Cys Gly Trp Trp
Cys His Glu Tyr
Cys His Tyr Glu
Cys Lys Asp Trp
C24H34N6O7S (550.2209574000001)
Cys Lys Trp Asp
C24H34N6O7S (550.2209574000001)
Cys Asn Glu Trp
Cys Asn Trp Glu
Cys Gln Asp Trp
Cys Gln Trp Asp
Cys Arg Ser Trp
Cys Arg Trp Ser
Cys Ser Arg Trp
Cys Ser Trp Arg
Cys Trp Asp Lys
C24H34N6O7S (550.2209574000001)
Cys Trp Asp Gln
Cys Trp Glu Asn
Cys Trp Gly Trp
Cys Trp Lys Asp
C24H34N6O7S (550.2209574000001)
Cys Trp Asn Glu
Cys Trp Gln Asp
Cys Trp Arg Ser
Cys Trp Ser Arg
Cys Trp Trp Gly
Cys Tyr Glu His
Cys Tyr His Glu
Asp Cys Lys Trp
C24H34N6O7S (550.2209574000001)
Asp Cys Gln Trp
Asp Cys Trp Lys
C24H34N6O7S (550.2209574000001)
Asp Cys Trp Gln
Asp Lys Cys Trp
C24H34N6O7S (550.2209574000001)
Asp Lys Trp Cys
C24H34N6O7S (550.2209574000001)
Asp Gln Cys Trp
Asp Gln Trp Cys
Asp Trp Cys Lys
C24H34N6O7S (550.2209574000001)
Asp Trp Cys Gln
Asp Trp Lys Cys
C24H34N6O7S (550.2209574000001)
Asp Trp Gln Cys
Glu Cys His Tyr
Glu Cys Asn Trp
Glu Cys Trp Asn
Glu Cys Tyr His
Glu Glu His His
Glu Phe Gln Gln
Glu His Cys Tyr
Glu His Glu His
Glu His His Glu
Glu His Tyr Cys
Glu Asn Cys Trp
Glu Asn Trp Cys
Glu Gln Phe Gln
Glu Gln Gln Phe
Glu Trp Cys Asn
Glu Trp Asn Cys
Glu Tyr Cys His
Glu Tyr His Cys
Phe Glu Gln Gln
Phe Gln Glu Gln
Phe Gln Gln Glu
Gly Cys Trp Trp
Gly Trp Cys Trp
Gly Trp Trp Cys
His Cys Glu Tyr
His Cys Tyr Glu
His Glu Cys Tyr
His Glu Glu His
His Glu His Glu
His Glu Tyr Cys
His His Glu Glu
His Met Thr Tyr
C24H34N6O7S (550.2209574000001)
His Met Tyr Thr
C24H34N6O7S (550.2209574000001)
His Thr Met Tyr
C24H34N6O7S (550.2209574000001)
His Thr Tyr Met
C24H34N6O7S (550.2209574000001)
His Tyr Cys Glu
His Tyr Glu Cys
His Tyr Met Thr
C24H34N6O7S (550.2209574000001)
His Tyr Thr Met
C24H34N6O7S (550.2209574000001)
Lys Cys Asp Trp
C24H34N6O7S (550.2209574000001)
Lys Cys Trp Asp
C24H34N6O7S (550.2209574000001)
Lys Asp Cys Trp
C24H34N6O7S (550.2209574000001)
Lys Asp Trp Cys
C24H34N6O7S (550.2209574000001)
Lys Trp Cys Asp
C24H34N6O7S (550.2209574000001)
Lys Trp Asp Cys
C24H34N6O7S (550.2209574000001)
Met His Thr Tyr
C24H34N6O7S (550.2209574000001)
Met His Tyr Thr
C24H34N6O7S (550.2209574000001)
Met Met Asn Arg
Met Met Arg Asn
Met Asn Met Arg
Met Asn Arg Met
Met Asn Thr Trp
C24H34N6O7S (550.2209574000001)
Met Asn Trp Thr
C24H34N6O7S (550.2209574000001)
Met Gln Ser Trp
C24H34N6O7S (550.2209574000001)
Met Gln Trp Ser
C24H34N6O7S (550.2209574000001)
Met Arg Met Asn
Met Arg Asn Met
Met Ser Gln Trp
C24H34N6O7S (550.2209574000001)
Met Ser Trp Gln
C24H34N6O7S (550.2209574000001)
Met Thr His Tyr
C24H34N6O7S (550.2209574000001)
Met Thr Asn Trp
C24H34N6O7S (550.2209574000001)
Met Thr Trp Asn
C24H34N6O7S (550.2209574000001)
Met Thr Tyr His
C24H34N6O7S (550.2209574000001)
Met Trp Asn Thr
C24H34N6O7S (550.2209574000001)
Met Trp Gln Ser
C24H34N6O7S (550.2209574000001)
Met Trp Ser Gln
C24H34N6O7S (550.2209574000001)
Met Trp Thr Asn
C24H34N6O7S (550.2209574000001)
Met Tyr His Thr
C24H34N6O7S (550.2209574000001)
Met Tyr Thr His
C24H34N6O7S (550.2209574000001)
Asn Cys Glu Trp
Asn Cys Trp Glu
Asn Glu Cys Trp
Asn Glu Trp Cys
Asn Met Met Arg
Asn Met Arg Met
Asn Met Thr Trp
C24H34N6O7S (550.2209574000001)
Asn Met Trp Thr
C24H34N6O7S (550.2209574000001)
Asn Arg Met Met
Asn Thr Met Trp
C24H34N6O7S (550.2209574000001)
Asn Thr Trp Met
C24H34N6O7S (550.2209574000001)
Asn Trp Cys Glu
Asn Trp Glu Cys
Asn Trp Met Thr
C24H34N6O7S (550.2209574000001)
Asn Trp Thr Met
C24H34N6O7S (550.2209574000001)
Gln Cys Asp Trp
Gln Cys Trp Asp
Gln Asp Cys Trp
Gln Asp Trp Cys
Gln Glu Phe Gln
Gln Glu Gln Phe
Gln Phe Glu Gln
Gln Phe Gln Glu
Gln Met Ser Trp
C24H34N6O7S (550.2209574000001)
Gln Met Trp Ser
C24H34N6O7S (550.2209574000001)
Gln Gln Glu Phe
Gln Gln Phe Glu
Gln Ser Met Trp
C24H34N6O7S (550.2209574000001)
Gln Ser Trp Met
C24H34N6O7S (550.2209574000001)
Gln Trp Cys Asp
Gln Trp Asp Cys
Gln Trp Met Ser
C24H34N6O7S (550.2209574000001)
Gln Trp Ser Met
C24H34N6O7S (550.2209574000001)
Arg Cys Ser Trp
Arg Cys Trp Ser
Arg Met Met Asn
Arg Met Asn Met
Arg Asn Met Met
Arg Ser Cys Trp
Arg Ser Trp Cys
Arg Trp Cys Ser
Arg Trp Ser Cys
Ser Cys Arg Trp
Ser Cys Trp Arg
Ser Met Gln Trp
C24H34N6O7S (550.2209574000001)
Ser Met Trp Gln
C24H34N6O7S (550.2209574000001)
Ser Gln Met Trp
C24H34N6O7S (550.2209574000001)
Ser Gln Trp Met
C24H34N6O7S (550.2209574000001)
Ser Arg Cys Trp
Ser Arg Trp Cys
Ser Trp Cys Arg
Ser Trp Met Gln
C24H34N6O7S (550.2209574000001)
Ser Trp Gln Met
C24H34N6O7S (550.2209574000001)
Ser Trp Arg Cys
Thr His Met Tyr
C24H34N6O7S (550.2209574000001)
Thr His Tyr Met
C24H34N6O7S (550.2209574000001)
Thr Met His Tyr
C24H34N6O7S (550.2209574000001)
Thr Met Asn Trp
C24H34N6O7S (550.2209574000001)
Thr Met Trp Asn
C24H34N6O7S (550.2209574000001)
Thr Met Tyr His
C24H34N6O7S (550.2209574000001)
Thr Asn Met Trp
C24H34N6O7S (550.2209574000001)
Thr Asn Trp Met
C24H34N6O7S (550.2209574000001)
Thr Trp Met Asn
C24H34N6O7S (550.2209574000001)
Thr Trp Asn Met
C24H34N6O7S (550.2209574000001)
Thr Tyr His Met
C24H34N6O7S (550.2209574000001)
Thr Tyr Met His
C24H34N6O7S (550.2209574000001)
Trp Cys Asp Lys
C24H34N6O7S (550.2209574000001)
Trp Cys Asp Gln
Trp Cys Glu Asn
Trp Cys Gly Trp
Trp Cys Lys Asp
C24H34N6O7S (550.2209574000001)
Trp Cys Asn Glu
Trp Cys Gln Asp
Trp Cys Arg Ser
Trp Cys Ser Arg
Trp Cys Trp Gly
Trp Asp Cys Lys
C24H34N6O7S (550.2209574000001)
Trp Asp Cys Gln
Trp Asp Lys Cys
C24H34N6O7S (550.2209574000001)
Trp Asp Gln Cys
Trp Glu Cys Asn
Trp Glu Asn Cys
Trp Gly Cys Trp
Trp Gly Trp Cys
Trp Lys Cys Asp
C24H34N6O7S (550.2209574000001)
Trp Lys Asp Cys
C24H34N6O7S (550.2209574000001)
Trp Met Asn Thr
C24H34N6O7S (550.2209574000001)
Trp Met Gln Ser
C24H34N6O7S (550.2209574000001)
Trp Met Ser Gln
C24H34N6O7S (550.2209574000001)
Trp Met Thr Asn
C24H34N6O7S (550.2209574000001)
Trp Asn Cys Glu
Trp Asn Glu Cys
Trp Asn Met Thr
C24H34N6O7S (550.2209574000001)
Trp Asn Thr Met
C24H34N6O7S (550.2209574000001)
Trp Gln Cys Asp
Trp Gln Asp Cys
Trp Gln Met Ser
C24H34N6O7S (550.2209574000001)
Trp Gln Ser Met
C24H34N6O7S (550.2209574000001)
Trp Arg Cys Ser
Trp Arg Ser Cys
Trp Ser Cys Arg
Trp Ser Met Gln
C24H34N6O7S (550.2209574000001)
Trp Ser Gln Met
C24H34N6O7S (550.2209574000001)
Trp Ser Arg Cys
Trp Thr Met Asn
C24H34N6O7S (550.2209574000001)
Trp Thr Asn Met
C24H34N6O7S (550.2209574000001)
Trp Trp Cys Gly
Trp Trp Gly Cys
Tyr Cys Glu His
Tyr Cys His Glu
Tyr Glu Cys His
Tyr Glu His Cys
Tyr His Cys Glu
Tyr His Glu Cys
Tyr His Met Thr
C24H34N6O7S (550.2209574000001)
Tyr His Thr Met
C24H34N6O7S (550.2209574000001)
Tyr Met His Thr
C24H34N6O7S (550.2209574000001)
Tyr Met Thr His
C24H34N6O7S (550.2209574000001)
Tyr Thr His Met
C24H34N6O7S (550.2209574000001)
Tyr Thr Met His
C24H34N6O7S (550.2209574000001)
Pluripotin
Scorzonoside
1,2-bis(dicyclohexylphosphino)ethane nickel(ii) chloride
C26H48Cl2NiP2 (550.1961597999999)
2-Methyl-2-propanyl 4-[1-(phenylsulfonyl)-3-(4,4,5,5-tetramethyl- 1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazo le-1-carboxylate
9,9-Bis[4-(2-oxiranemethyloxyethyloxy)phenyl]fluorene
(6,6-dimethyl-[1,1-biphenyl]-2,2-diyl)bis(diphenylphosphine)
3-methoxy-6-(4-methoxyphenyl)-6-phenyl-Dibenzo[3,4:7,8]fluoreno[2,1-b]pyran-9(6H)-one
(11aR)-3,7-Bis(2,4,6-trimethylphenyl)-10,11,12,13-tetrahydro-5-hydroxy-5-oxide-diindeno[7,1-de:1,7-fg][1,3,2]dioxaphosphocin
acetic acid 5-[3-(4-acetoxypyrrolidin-2-ylmethyl)-6,6’-difluoro-1H,1H-[2,2]biindolyl-3-ylmethyl]pyrrolidin-3-yl ester
C30H32F2N4O4 (550.2391495999999)
(4R,8R,11S,18S)-4-benzyl-18-[(2S)-butan-2-yl]-11-methyl-6,13-dioxa-20-thia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),12(23),14,19(22)-pentaene-2,9,16-trione
29307-60-6
Genipin 1-β-D-gentiobioside (Genipin 1-gentiobioside) is one of the most abundant and bioactive iridoid glycosides in Gardenia jasminoides Ellis, which possesses hepatoprotective, anti-inflammatory, antioxidant, and antithrombotic activities. Genipin 1-β-D-gentiobioside (Genipin 1-gentiobioside) is one of the most abundant and bioactive iridoid glycosides in Gardenia jasminoides Ellis, which possesses hepatoprotective, anti-inflammatory, antioxidant, and antithrombotic activities.
methyl (1beta,11beta,12alpha,15beta)-15-{[(2E)-3,4-dimethylpent-2-enoyl]oxy}-1,11,12-trihydroxy-2,16-dioxo-13,20-epoxypicrasan-21-oate
Glu-Phe-Gln-Gln
A tetrapeptide composed of L-glutamic acid, L-phenylalanine and two L-glutamine units joined by peptide linkages.
3,15-di-O-propionylbruceolide
A quassinoid that is the 3,15-di-O-propionyl derivative of bruceolide. It has been isolated from Brucea javanica and Brucea sumatrana.
2-[(3R,6aR,8R,10aR)-3-hydroxy-1-(3-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide
2-[(3R,6aS,8S,10aS)-3-hydroxy-1-(3-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide
2-[(3S,6aS,8S,10aS)-3-hydroxy-1-(3-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide
2-[(3S,6aS,8R,10aS)-3-hydroxy-1-(3-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide
2-[(3R,6aR,8S,10aR)-3-hydroxy-1-(3-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide
1-[(2S,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea
1-[(2R,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea
1-[(2S,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea
1-[(2S,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-propan-2-ylurea
1-[(2S,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-propan-2-ylurea
N-[(2R,3R)-2-[[[(4-fluoroanilino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide
C28H31FN6O5 (550.2339847999999)
N-[(2S,3S)-2-[[[(4-fluoroanilino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide
C28H31FN6O5 (550.2339847999999)
2-[(3S,6aR,8S,10aR)-3-hydroxy-1-(3-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide
1-[(2R,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-propan-2-ylurea
1-[(2S,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-propan-2-ylurea
1-[(2R,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-propan-2-ylurea
1-[(2R,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-propan-2-ylurea
1-[(2S,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-propan-2-ylurea
1-[(2S,3S)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-propan-2-ylurea
1-[(2S,3R)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-propan-2-ylurea
N-[(2S,3R)-2-[[[(4-fluoroanilino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide
C28H31FN6O5 (550.2339847999999)
2-[(3S,6aR,8R,10aR)-3-hydroxy-1-(3-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide
2-[(3R,6aS,8R,10aS)-3-hydroxy-1-(3-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide
prop-2-yn-1-yl 2-acetamido-6-O-(5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl)-2-deoxy-alpha-D-galactopyranoside
6-[(10-Butanoyl-3-hydroxy-2,2-dimethyl-8-oxo-6-propyl-3,4-dihydropyrano[3,2-g]chromen-5-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
(2S)-2-[[(2S)-2-[(1-ethoxycarbonylpiperidin-4-yl)oxycarbonylamino]-4-methylpentanoyl]amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
bruceanol E
A quassinoid that is the dihydro derivative of bruceanol D. Isolated from Brucea antidysenterica, it exhibits in vitro cytotoxicity towards several human tumour cell lines.
Pluripotin
Pluripotin is a dual inhibitor of ERK1 and RasGAP with KDs of 98 nM and 212 nM, respectively. Pluripotin also inhibits RSK1, RSK2, RSK3, and RSK4 with IC50s of 0.5, 2.5, 3.3, and 10.0 μM, respectively.
SOS1-IN-14
SOS1-IN-14 is a potent, selective and orally active SOS1 inhibitor with an IC50 value of 3.9 nM. SOS1-IN-14 can be absorbed in the intestine via a P-glycoprotein-mediated efflux mechanism. SOS1-IN-14 can be used to research KRAS-mutated cancers. SOS1-IN-14 has better potent tumor suppression than BI-3406 (HY-125817)[1].
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 5-[7-(acetyloxy)-4,9-dimethyl-11-oxo-10-oxatricyclo[6.3.2.0¹,⁷]tridec-3-en-9-yl]-2-methylpenta-2,4-dienoate
6-{[3,5-dihydroxy-9-(2-phenylethenyl)-6-(3-phenylprop-2-enoyl)-8,10-dioxatricyclo[7.3.1.0²,⁷]trideca-2,4,6-trien-11-yl]methyl}-5,6-dihydropyran-2-one
(2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-{4-[(2s,3r)-3-(hydroxymethyl)-5-[(1e)-3-hydroxyprop-1-en-1-yl]-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2,6-dimethoxyphenoxy}oxane-3,4,5-triol
(2s,3r,4s,5s,6r)-2-{4-[(1r,3as,4r,6as)-4-(4-hydroxy-3-methoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2,6-dimethoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
methyl 5-(acetyloxy)-4-{[2,3-bis(acetyloxy)-2-methylbutanoyl]oxy}-10-methyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-6-carboxylate
4-{5-hydroxy-2,2-dimethyl-8-oxo-10-phenylpyrano[2,3-h]chromen-6-yl}-2-methyl-4-oxobutyl 3-phenylprop-2-enoate
(3r,4r)-4-{[(2s,3r)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]methyl}-3-[(4-hydroxy-3-methoxyphenyl)methyl]-4-methyloxolan-2-one
2,10,14-tris(acetyloxy)-3-hydroxy-4,9,13-trimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-12-yl acetate
[(1s,2s,3s,4r,7s,8e,12s,13s,14r)-2,12,14-tris(acetyloxy)-3-hydroxy-4,13,17-trimethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-8,16-dien-9-yl]methyl acetate
2-{4-[4-(4-hydroxy-3,5-dimethoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-{4-[(2s,3r)-3-(hydroxymethyl)-5-[(1e)-3-hydroxyprop-1-en-1-yl]-4-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2,6-dimethoxyphenoxy}oxane-3,4,5-triol
(2s)-4-{5-hydroxy-8,8-dimethyl-2-oxo-4-phenylpyrano[2,3-f]chromen-6-yl}-2-methyl-4-oxobutyl (2e)-3-phenylprop-2-enoate
methyl (4r,5r,6s)-6-(2-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}ethyl)-5-ethenyl-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohex-1-ene-1-carboxylate
methyl (3as,4s,5s,11ar)-4-{[(2s,3r)-3-(acetyloxy)-2-hydroxy-2-methylbutanoyl]oxy}-10-methyl-5-{[(2s)-2-methylbutanoyl]oxy}-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-6-carboxylate
alpinnanin a
{"Ingredient_id": "HBIN015752","Ingredient_name": "alpinnanin a","Alias": "NA","Ingredient_formula": "C35H34O6","Ingredient_Smile": "COC1=C(C(=C(C(=C1)O)C(C=CCC(CCC2=CC=CC=C2)O)C3=CC=C(C=C3)O)O)C(=O)C=CC4=CC=CC=C4","Ingredient_weight": "550.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "986","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "11613685","DrugBank_id": "NA"}
alpinnanin c
{"Ingredient_id": "HBIN015754","Ingredient_name": "alpinnanin c","Alias": "NA","Ingredient_formula": "C35H34O6","Ingredient_Smile": "COC1=C(C(=C(C(=C1)O)C(CC(CCC2=CC=CC=C2)O)C=CC3=CC=C(C=C3)O)O)C(=O)C=CC4=CC=CC=C4","Ingredient_weight": "550.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "988","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "11678391","DrugBank_id": "NA"}