Exact Mass: 518.1819686
Exact Mass Matches: 518.1819686
Found 500 metabolites which its exact mass value is equals to given mass value 518.1819686
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
(-)-Gossypol
Gossypol has been used in trials studying the treatment of Non-small Cell Lung Cancer. (-)-Gossypol or (R)-Gossypol, is the R-isomer of [Gossypol]. Gossypol is a natural product found in Malva pseudolavatera, Hibiscus syriacus, and other organisms with data available. Gossypol is an orally-active polyphenolic aldehyde with potential antineoplastic activity. Derived primarily from unrefined cottonseed oil, gossypol induces cell cycle arrest at the G0/G1 phase, thereby inhibiting DNA replication and inducing apoptosis. This agent also inhibits cell-signaling enzymes, resulting in inhibition of cell growth, and may act as a male contraceptive. (-)-Gossypol is found in fats and oils. (-)-Gossypol is a constituent of Gossypium hirsutum (cotton).(-)-gossypol has been shown to exhibit anti-tumor, anti-cancer and anti-proliferative functions (A7832, A7833, A7834). A dimeric sesquiterpene found in cottonseed (GOSSYPIUM). The (-) isomer is active as a male contraceptive (CONTRACEPTIVE AGENTS, MALE) whereas toxic symptoms are associated with the (+) isomer. Gossypol, also known as gossypol, (+)-isomer or (-)-gossypol, is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. Thus, gossypol is considered to be an isoprenoid lipid molecule. Gossypol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Gossypol can be found in cottonseed, okra, soy bean, and sunflower, which makes gossypol a potential biomarker for the consumption of these food products. Gossypol is a non-carcinogenic (not listed by IARC) potentially toxic compound. Among other things, it has been tested as a male oral contraceptive in China. In addition to its putative contraceptive properties, gossypol has also long been known to possess antimalarial properties. Other researchers are investigating the anticancer properties of gossypol . Gossypol may cause apoptosis via the regulation of Bax and Bcl-2 proteins. It is also an inhibitor of calcineurin and protein kinases C, and has been shown to bind calmodulin (L1239) (T3DB). C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor (-)-Gossypol is found in fats and oils. (-)-Gossypol is a constituent of Gossypium hirsutum (cotton) D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents C274 - Antineoplastic Agent > C1931 - Antineoplastic Plant Product C1907 - Drug, Natural Product Gossypol binds to Bcl-xL protein and Bcl-2 protein with Kis of 0.5-0.6 μM and 0.2-0.3 mM, respectively. Gossypol binds to Bcl-xL protein and Bcl-2 protein with Kis of 0.5-0.6 μM and 0.2-0.3 mM, respectively.
Phellamurin
Phellamurin is a member of the class of dihydroflavonols that is (+)-dihydrokaempferol substituted by a prenyl group at position 8 and a beta-D-glucopyranosyl group at position 7 via a glycosidic linkage. Isolated from Phellodendron amurense and Commiphora africana, it exhibits inhibition of intestinal P-glycoprotein. It has a role as a metabolite. It is a member of dihydroflavonols, a flavanone glycoside, a trihydroxyflavanone, a monosaccharide derivative, a beta-D-glucoside and a member of 4-hydroxyflavanones. It is functionally related to a (+)-dihydrokaempferol. Phellamurin is a natural product found in Commiphora africana, Phellodendron chinense, and other organisms with data available. A member of the class of dihydroflavonols that is (+)-dihydrokaempferol substituted by a prenyl group at position 8 and a beta-D-glucopyranosyl group at position 7 via a glycosidic linkage. Isolated from Phellodendron amurense and Commiphora africana, it exhibits inhibition of intestinal P-glycoprotein. Origin: Plant, Pyrans
RUBRATOXIN B
D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
Ciceritol
Constituent of chick pea seeds (Cicer arietinum), lentil seeds (Lens esculenta) and other plant subspecies in the Leguminosae. Ciceritol is found in soy bean and pulses. Ciceritol is found in pulses. Ciceritol is a constituent of chick pea seeds (Cicer arietinum), lentil seeds (Lens esculenta) and other plant species in the Leguminosae.
Lupiwighteone hydrate 7-glucoside
Lupiwighteone hydrate 7-glucoside is found in pulses. Lupiwighteone hydrate 7-glucoside is a constituent of soybean molasses (Glycine sp.) Constituent of soybean molasses (Glycine species). Lupiwighteone hydrate 7-glucoside is found in pulses.
Poly-g-D-glutamate
Poly-gamma-D-glutamate or PGA is an intermediate in D-Glutamine and D-glutamate metabolism. It is a polymer of D-glutamate residues. It is produced by bacteria, a number of which are part of the normal human microflora. In particular, Staph. epidermidis secretes poly-gamma-glutamate (PGA) to facilitate growth and ensure its survival inside the human host. PGA protects the pathogen from innate host defenses during infection. S. epidermidis is the only human pathogen known to produce PGA other than Bacillus anthracis, but several differences exist in how the two pathogens use PGA to their advantage. What is shown in the attached diagram is a tetramer of poly-gamma-glutamate. PGA is currently used as an antigen for vaccine production against Anthrax. Poly-gamma-D-glutamate is produced from L-Glutamate via a multi-step reaction. [HMDB] Poly-gamma-D-glutamate or PGA is an intermediate in D-Glutamine and D-glutamate metabolism. It is a polymer of D-glutamate residues. It is produced by bacteria, a number of which are part of the normal human microflora. In particular, Staph. epidermidis secretes poly-gamma-glutamate (PGA) to facilitate growth and ensure its survival inside the human host. PGA protects the pathogen from innate host defenses during infection. S. epidermidis is the only human pathogen known to produce PGA other than Bacillus anthracis, but several differences exist in how the two pathogens use PGA to their advantage. What is shown in the attached diagram is a tetramer of poly-gamma-glutamate. PGA is currently used as an antigen for vaccine production against Anthrax. Poly-gamma-D-glutamate is produced from L-Glutamate via a multi-step reaction.
Ac-Asp-Glu-Val-Asp
6-[[3-[(Dimethylamino)carbonyl]phenyl]sulfonyl]-4-[(3-methoxyphenyl)amino]-8-methyl-3-quinolinecarboxamide
6,6'-Methylenebis(2,2-dimethyl-4-methanesulfonic acid-1,2-dihydroquinoline)
D020011 - Protective Agents > D000975 - Antioxidants
RUBRATOXIN B
D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
6-O-Glucosylgentiopicroside
6-O-beta-D-Glucosylgentiopicroside is a natural product found in Swertia japonica, Gentiana asclepiadea, and other organisms with data available. 6'-O-beta-D-Glucosylgentiopicroside is a secoiridoid isolated from the roots of G. straminea. 6'-O-beta-D-Glucosylgentiopicroside strongly suppresses N-formyl-methionyl-leucyl-phenylalanine (fMLP)-induced superoxide generation[1]. 6'-O-beta-D-Glucosylgentiopicroside is a secoiridoid isolated from the roots of G. straminea. 6'-O-beta-D-Glucosylgentiopicroside strongly suppresses N-formyl-methionyl-leucyl-phenylalanine (fMLP)-induced superoxide generation[1].
Sibiricose
Sibiricose A5 is a hydroxycinnamic acid. Sibiricose A5 is a natural product found in Polygala arillata, Lilium speciosum, and other organisms with data available. Sibiricose A5 is an oligosaccharide ester isolated from Polygalae Radix with potent antioxidant activity[1][2]. Sibiricose A5 is an oligosaccharide ester isolated from Polygalae Radix with potent antioxidant activity[1][2].
Sibiricose A5
Sibiricose A5 is a hydroxycinnamic acid. Sibiricose A5 is a natural product found in Polygala arillata, Lilium speciosum, and other organisms with data available. Sibiricose A5 is an oligosaccharide ester isolated from Polygalae Radix with potent antioxidant activity[1][2]. Sibiricose A5 is an oligosaccharide ester isolated from Polygalae Radix with potent antioxidant activity[1][2].
Phellodendroside
6-O-β-D-Glucopyranosylgentiopicroside
6'-O-beta-D-Glucosylgentiopicroside is a secoiridoid isolated from the roots of G. straminea. 6'-O-beta-D-Glucosylgentiopicroside strongly suppresses N-formyl-methionyl-leucyl-phenylalanine (fMLP)-induced superoxide generation[1]. 6'-O-beta-D-Glucosylgentiopicroside is a secoiridoid isolated from the roots of G. straminea. 6'-O-beta-D-Glucosylgentiopicroside strongly suppresses N-formyl-methionyl-leucyl-phenylalanine (fMLP)-induced superoxide generation[1].
(9S*,10S*)-3-[7-(5-O-beta-D-Glucopyranosyl-10-hydroxy-9-hydroxymethyl-2,6-dimethoxy)-9,10-dihydrophenanthrenyl]propenal
2-[[3,5-dihydroxy-6-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
(+)-fatouain H|(+)-threo-10-(2-hydroxy-1-(8-hydroxy-7-methoxy-2-oxo-[2H]-chromen-6-yl)-3-methylbut-3-enyloxy)-8,8-dimethylpyrano[3,2-g]chromen-2(8H)-one
(R)-4-[2,2-Bis-((5R)-5-methyl-2,4-dioxo-tetrahydro-[3]furyl)-propyl]-5-methyl-3-[1-methyl-1-((5R)-5-methyl-2,4-dioxo-tetrahydro-[3]furyl)-aethyl]-5H-furan-2-on|(R)-4-[2,2-bis-((5R)-5-methyl-2,4-dioxo-tetrahydro-[3]furyl)-propyl]-5-methyl-3-[1-methyl-1-((5R)-5-methyl-2,4-dioxo-tetrahydro-[3]furyl)-ethyl]-5H-furan-2-one
5,5-Diisopropyl-7,7-dimethyl-8,8-bi[2H-naphtho[1,8-bc]furan]-2,2,3,3,4,4-hexol
O-alpha-D-galactopyranosyl-(1->6)-O-alpha-D-galactopyranosyl-(1->3)-4-O-methyl-D-myo-inositol
2,6-dimethoxy-4-(3-hydroxy-propen-1-yl)phenyl-alpha-L-rhamnopyranosyl-(1->6)-beta-D-glucopyranoside
2,6-dimethoxy-4-(prop-2-enyl)phenyl O-beta-D-glucopyranosyl-(1?6)-beta-D-glucopyranoside
(2S)-5,7-dihydroxy-6,8-dimethyl-4-methoxydihydroflavone-7-O-(6-O-acetyl)-beta-D-glucopyranoside
O-(6-O-trans-feruloyl-beta-D-galactofuranosyl)-(1<*>4)-beta-D-galactopyranose|O-(6-O-trans-feruloyl-beta-D-galactofuranosyl)-(1[*]4)-beta-D-galactopyranose|O-[6-O-(trans-feruloyl)-beta-D-galactopyranosyl]-(1-4)-D-galactopyranose
4-Acetoxy-3-(4-acetoxy-phenyl)-5-methoxy-8,8-dimethyl-10-(3-methyl-but-2-enyl)-8H-pyrano[3,2-g]chromen-2-on|4-acetoxy-3-(4-acetoxy-phenyl)-5-methoxy-8,8-dimethyl-10-(3-methyl-but-2-enyl)-8H-pyrano[3,2-g]chromen-2-one|Di-O-acetyl-lonchocarpinsaeure|Di-O-acetyllonchocarpic acid
(2aR,5S)-5-[(beta-D-glucopyranosyl)oxy]-2a,4a,5,7b-tetrahydro-4-{[(alpha-L-rhamnopyranosyl)oxy]methyl}-1H-2,6-dioxacyclopenta[cd]inden-1-one|teneoside A
3beta-acetoxy-1alpha-hydroxy-8alpha-(4,5-diacetoxyangeloyloxy)-eremanthin|3beta-acetoxy-1alpha-hydroxy-8alpha-<4,5-diacetoxyangeloyloxy>-eremanthin
Glu Asn Gln Glu
Gln Asn Glu Glu
Ala His Tyr Glu
(2R,3R)-3,5-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
4-[7-acetyloxy-5-chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-7-methyl-6,8-dioxoisoquinolin-2-yl]-5-amino-5-oxopentanoic acid
C22H30O14_3-O-[(2E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoyl]-beta-D-fructofuranosyl alpha-D-glucopyranoside
3,5-dihydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
[6-[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate_major
[6-[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate_major
Ala Cys Tyr Tyr
Ala Asp Gln Trp
Ala Asp Trp Gln
Ala Glu His Tyr
Ala Glu Asn Trp
Ala Glu Trp Asn
Ala Glu Tyr His
Ala His Glu Tyr
Ala Asn Glu Trp
Ala Asn Trp Glu
Ala Gln Asp Trp
Ala Gln Trp Asp
Ala Trp Asp Gln
Ala Trp Glu Asn
Ala Trp Asn Glu
Ala Trp Gln Asp
Ala Tyr Cys Tyr
Ala Tyr Glu His
Ala Tyr His Glu
Ala Tyr Tyr Cys
Cys Ala Tyr Tyr
Cys Cys Phe Phe
Cys Glu His Met
Cys Glu Met His
Cys Phe Cys Phe
Cys Phe Phe Cys
Cys Phe Ser Tyr
Cys Phe Tyr Ser
Cys His Glu Met
Cys His Met Glu
Cys His Pro Tyr
Cys His Tyr Pro
Cys Met Glu His
Cys Met His Glu
Cys Asn Pro Trp
Cys Asn Trp Pro
Cys Pro His Tyr
Cys Pro Asn Trp
Cys Pro Trp Asn
Cys Pro Tyr His
Cys Ser Phe Tyr
Cys Ser Tyr Phe
Cys Trp Asn Pro
Cys Trp Pro Asn
Cys Tyr Ala Tyr
Cys Tyr Phe Ser
Cys Tyr His Pro
Cys Tyr Pro His
Cys Tyr Ser Phe
Cys Tyr Tyr Ala
Asp Ala Gln Trp
Asp Ala Trp Gln
Asp Asp Asn Arg
Asp Asp Arg Asn
Asp Glu Gln Gln
Asp Phe His Thr
Asp Phe Thr His
Asp His Phe Thr
Asp His Thr Phe
Asp Asn Asp Arg
Asp Asn Arg Asp
Asp Gln Ala Trp
Asp Gln Glu Gln
Asp Gln Gln Glu
Asp Gln Trp Ala
Asp Arg Asp Asn
Asp Arg Asn Asp
Asp Thr Phe His
Asp Thr His Phe
Asp Trp Ala Gln
Asp Trp Gln Ala
Glu Ala His Tyr
Glu Ala Asn Trp
Glu Ala Trp Asn
Glu Ala Tyr His
Glu Cys His Met
Glu Cys Met His
Glu Asp Gln Gln
Glu Glu Asn Gln
Glu Glu Gln Asn
Glu Phe His Ser
Glu Phe Ser His
Glu Gly Gln Trp
Glu Gly Trp Gln
Glu His Ala Tyr
Glu His Cys Met
Glu His Phe Ser
Glu His Met Cys
Glu His Ser Phe
Glu His Tyr Ala
Glu Met Cys His
Glu Met His Cys
Glu Asn Ala Trp
Glu Asn Glu Gln
Glu Asn Trp Ala
Glu Gln Asp Gln
Glu Gln Glu Asn
Glu Gln Gly Trp
Glu Gln Asn Glu
Glu Gln Gln Asp
Glu Gln Trp Gly
Glu Ser Phe His
Glu Ser His Phe
Glu Trp Ala Asn
Glu Trp Gly Gln
Glu Trp Asn Ala
Glu Trp Gln Gly
Glu Tyr Ala His
Glu Tyr His Ala
Phe Cys Cys Phe
Phe Cys Phe Cys
Phe Cys Ser Tyr
Phe Cys Tyr Ser
Phe Asp His Thr
Phe Asp Thr His
Phe Glu His Ser
Phe Glu Ser His
Phe Phe Cys Cys
Phe His Asp Thr
Phe His Glu Ser
Phe His Ser Glu
Phe His Thr Asp
Phe Ser Cys Tyr
Phe Ser Glu His
Phe Ser His Glu
Phe Ser Tyr Cys
Phe Thr Asp His
Phe Thr His Asp
Phe Tyr Cys Ser
Phe Tyr Ser Cys
Gly Glu Gln Trp
Gly Glu Trp Gln
Gly Gln Glu Trp
Gly Gln Trp Glu
Gly Trp Glu Gln
Gly Trp Gln Glu
His Ala Glu Tyr
His Ala Tyr Glu
His Cys Glu Met
His Cys Met Glu
His Cys Pro Tyr
His Cys Tyr Pro
His Asp Phe Thr
His Asp Thr Phe
His Glu Ala Tyr
His Glu Cys Met
His Glu Phe Ser
His Glu Met Cys
His Glu Ser Phe
His Glu Tyr Ala
His Phe Asp Thr
His Phe Glu Ser
His Phe Ser Glu
His Phe Thr Asp
His Met Cys Glu
His Met Glu Cys
His Met Met Thr
His Met Thr Met
His Pro Cys Tyr
His Pro Tyr Cys
His Ser Glu Phe
His Ser Phe Glu
His Thr Asp Phe
His Thr Phe Asp
His Thr Met Met
His Tyr Ala Glu
His Tyr Cys Pro
His Tyr Glu Ala
His Tyr Pro Cys
Met Cys Glu His
Met Cys His Glu
Met Glu Cys His
Met Glu His Cys
Met His Cys Glu
Met His Glu Cys
Met His Met Thr
Met His Thr Met
Met Met His Thr
Met Met Thr His
Met Thr His Met
Met Thr Met His
Asn Ala Glu Trp
Asn Ala Trp Glu
Asn Cys Pro Trp
Asn Cys Trp Pro
Asn Asp Asp Arg
Asn Asp Arg Asp
Asn Glu Ala Trp
Asn Glu Glu Gln
Asn Glu Gln Glu
Asn Glu Trp Ala
Asn Pro Cys Trp
Asn Pro Trp Cys
Asn Gln Glu Glu
Asn Arg Asp Asp
Asn Trp Ala Glu
Asn Trp Cys Pro
Asn Trp Glu Ala
Asn Trp Pro Cys
Pro Cys His Tyr
Pro Cys Asn Trp
Pro Cys Trp Asn
Pro Cys Tyr His
Pro His Cys Tyr
Pro His Tyr Cys
Pro Asn Cys Trp
Pro Asn Trp Cys
Pro Trp Cys Asn
Pro Trp Asn Cys
Pro Tyr Cys His
Pro Tyr His Cys
Gln Ala Asp Trp
Gln Ala Trp Asp
Gln Asp Ala Trp
Gln Asp Glu Gln
Gln Asp Gln Glu
Gln Asp Trp Ala
Gln Glu Asp Gln
Gln Glu Glu Asn
Gln Glu Gly Trp
Gln Glu Asn Glu
Gln Glu Gln Asp
Gln Glu Trp Gly
Gln Gly Glu Trp
Gln Gly Trp Glu
Gln Gln Asp Glu
Gln Gln Glu Asp
Gln Trp Ala Asp
Gln Trp Asp Ala
Gln Trp Glu Gly
Gln Trp Gly Glu
Arg Asp Asp Asn
Arg Asp Asn Asp
Arg Asn Asp Asp
Ser Cys Phe Tyr
Ser Cys Tyr Phe
Ser Glu Phe His
Ser Glu His Phe
Ser Phe Cys Tyr
Ser Phe Glu His
Ser Phe His Glu
Ser Phe Tyr Cys
Ser His Glu Phe
Ser His Phe Glu
Ser Ser Tyr Tyr
Ser Tyr Cys Phe
Ser Tyr Phe Cys
Ser Tyr Ser Tyr
Ser Tyr Tyr Ser
Thr Asp Phe His
Thr Asp His Phe
Thr Phe Asp His
Thr Phe His Asp
Thr His Met Met
Thr Met His Met
Thr Met Met His
Trp Cys Asn Pro
Trp Cys Pro Asn
Trp Asn Cys Pro
Trp Asn Pro Cys
Trp Pro Cys Asn
Trp Pro Asn Cys
Tyr Ala Cys Tyr
Tyr Ala Tyr Cys
Tyr Cys Ala Tyr
Tyr Cys Phe Ser
Tyr Cys His Pro
Tyr Cys Pro His
Tyr Cys Ser Phe
Tyr Cys Tyr Ala
Tyr Phe Cys Ser
Tyr Phe Ser Cys
Tyr His Cys Pro
Tyr His Pro Cys
Tyr Pro Cys His
Tyr Pro His Cys
Tyr Ser Cys Phe
Tyr Ser Phe Cys
Tyr Ser Ser Tyr
Tyr Ser Tyr Ser
Tyr Tyr Ala Cys
Tyr Tyr Cys Ala
Tyr Tyr Ser Ser
Ciceritol
Lupiwighteone hydrate 7-glucoside
3,5-Dihydroxy-2-(4-hydroxyphenyl)-6-(3-methyl-2-buten-1-yl)-4-oxo-3,4-dihydro-2H-chromen-7-yl hexopyranoside
Arillatose B
GSK256066
D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors > D058988 - Phosphodiesterase 4 Inhibitors
2-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]-chloro-(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)anilino]ethanol
C27H32Cl2N2O4 (518.1739011999999)
2-[(2-ethoxy-5(4-ethylpiperazine-1-sulphonyl)phenyl)]-7-ethoxycarbonyl-5-methylimidazo[5,1-f][1,2,4]triazin-4(3H)-one
4,4-bis(5-hydroxy-3-Methyl-1-phenyl-1H-pyrazol-4-yl)-3-Methyl-1-phenyl-1H-pyrazol-5(4H)-one
(-)-3-OXO-6-BETA-TRITYLOXYMETHYL-7-ALPHA-BENZOYL-OXY-2-OXABICYCLO[3.3.0!OCTANE
ALPHA1,3ALPHA1,6-MANNOTRIOSE, ALPHA-METHYL GLYCOSIDE
HEXOPRENALINE SULFATE
C22H34N2O10S (518.1934064000001)
D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D012102 - Reproductive Control Agents > D015149 - Tocolytic Agents
fellavine
AT-101
Constituent of Gossypium hirsutum (cotton). (-)-Gossypol is found in fats and oils.
3,5-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
(2R)-2-amino-4-[4-[(1R)-2-[[(3S)-1-[(R)-carboxy-(4-hydroxyphenyl)methyl]-2-oxoazetidin-3-yl]amino]-1-(dihydroxyamino)-2-oxoethyl]phenoxy]butanoic acid
6-O-(trans-feruloyl)-beta-D-galactopyranosyl-(1->4)-D-galactopyranose
A disaccharide derivative consisting of two D-galactose residues linked (1->4), feruloylated at O-6 of the residue at the non-reducing end.
Glu-Asp-Gln-Gln
A tetrapeptide composed of L-glutamic acid, L-aspartic acid and two L-glutamine units joined in sequence by peptide linkages.
2-fluoro-N-[[(4R,5S)-2-[(2R)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzamide
C26H31FN2O6S (518.1886757999999)
2-fluoro-N-[[(4S,5R)-2-[(2S)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzamide
C26H31FN2O6S (518.1886757999999)
2-fluoro-N-[[(4S,5R)-2-[(2R)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzamide
C26H31FN2O6S (518.1886757999999)
2-[(1R,3R,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclohexylacetamide
C26H31FN2O6S (518.1886757999999)
2-[(1S,3R,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclohexylacetamide
C26H31FN2O6S (518.1886757999999)
2-fluoro-N-[[(4R,5R)-2-[(2S)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzamide
C26H31FN2O6S (518.1886757999999)
2-fluoro-N-[[(4S,5S)-2-[(2R)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzamide
C26H31FN2O6S (518.1886757999999)
2-fluoro-N-[[(4S,5S)-2-[(2S)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzamide
C26H31FN2O6S (518.1886757999999)
2-fluoro-N-[[(4R,5R)-2-[(2R)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzamide
C26H31FN2O6S (518.1886757999999)
2-fluoro-N-[[(4R,5S)-2-[(2S)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzamide
C26H31FN2O6S (518.1886757999999)
N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3-oxanyl]-1,3-benzodioxole-5-carboxamide
N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3-oxanyl]-1,3-benzodioxole-5-carboxamide
2-[(1R,3R,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-cyclohexylacetamide
C26H31FN2O6S (518.1886757999999)
2-[(1S,3S,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclohexylacetamide
C26H31FN2O6S (518.1886757999999)
N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3-oxanyl]-1,3-benzodioxole-5-carboxamide
N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3-oxanyl]-1,3-benzodioxole-5-carboxamide
N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3-oxanyl]-1,3-benzodioxole-5-carboxamide
2-[(1S,3S,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclohexylacetamide
C26H31FN2O6S (518.1886757999999)
N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3-oxanyl]-1,3-benzodioxole-5-carboxamide
N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3-oxanyl]-1,3-benzodioxole-5-carboxamide
N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3-oxanyl]-1,3-benzodioxole-5-carboxamide
2-[(1S,3R,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclohexylacetamide
C26H31FN2O6S (518.1886757999999)
2-[(1R,3S,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclohexylacetamide
C26H31FN2O6S (518.1886757999999)
[(3aS,4S,9bS)-8-[2-(2-methoxyphenyl)ethynyl]-1-(4-methoxyphenyl)sulfonyl-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-4-yl]methanol
(3-aminopropyl)(L-aspartyl-1-amino)phosphoryl-5-adenosine
4,5-Dihydroxy-6-(hydroxymethyl)-2-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]oxan-3-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
2-(3,4-Dimethoxyphenyl)-9-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]purine-6-carboxamide
(10S)-2-hydroxy-3-[(1R)-1-hydroxyheptyl]-10-[(S)-hydroxy-[(2S)-6-oxo-2,3-dihydropyran-2-yl]methyl]-6,14-dioxatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-diene-5,7,13,15-tetrone
4-[7-acetyloxy-5-chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-7-methyl-6,8-dioxoisoquinolin-2-yl]-5-amino-5-oxopentanoic acid
(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-2-[[(2S,3S,4S,5R)-2-ethyl-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]peroxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
3,5-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-en-1-yl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one
(5r,6s)-6-{[(2s,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5-ethenyl-3h,5h,6h-pyrano[3,4-c]pyran-1-one
(2s,3r)-3,5-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-en-1-yl)-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one
1-{2,6-dihydroxy-4-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]phenyl}-3-methylbutan-1-one
n-[2-(5-{[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-1h-indol-3-yl)ethyl]-3-(4-hydroxyphenyl)prop-2-enimidic acid
[(2r,3s,4s,5r,6r)-6-{[(2s,3s,4s,5r)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
(5r,6s)-6-{[(2s,3r,4s,5r,6r)-3,5-dihydroxy-6-(hydroxymethyl)-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5-ethenyl-3h,5h,6h-pyrano[3,4-c]pyran-1-one
(2e)-n-[2-(5-{[(1r,2s)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-1h-indol-3-yl)ethyl]-3-(4-hydroxyphenyl)prop-2-enimidic acid
2-{4-[4-(2h-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
4-hydroxy-9-{4-hydroxy-3,5,8-trimethyl-2,7-dioxo-4h,4ah,9h,9ah-azuleno[6,5-b]furan-9-yl}-3,5,8-trimethyl-4h,4ah,9h,9ah-azuleno[6,5-b]furan-2,7-dione
(5r,6s)-5-ethenyl-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-3h,5h,6h-pyrano[3,4-c]pyran-1-one
3,3a,7a-tribenzyl-3-hydroxy-7-phenyl-dihydrofuro[3,2-b]pyran-2,5-dione
methyl (4ar,7as)-7-methylidene-1-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-4-carboxylate
8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}-3,9-dioxatricyclo[5.3.1.0⁴,¹¹]undeca-1(10),5-dien-2-one
4,7'-dihydroxy-3,5',6,15'-tetramethylidene-4,5,6a,7,9a,9b-hexahydro-3ah-3'-oxaspiro[azuleno[4,5-b]furan-9,12'-tetracyclo[7.6.1.0²,⁶.0¹³,¹⁶]hexadecan]-13'(16')-ene-2,4',8,14'-tetrone
3-[2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-3-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-2,3-dihydro-1-benzofuran-5-yl]prop-2-enal
[(2r,3s,4s,5r,6r)-6-{[(2r,3s,4s,5r)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
3,8-dihydroxy-6-methoxy-2-isopropyl-1,4-naphthoquinone
{"Ingredient_id": "HBIN007830","Ingredient_name": "3,8-dihydroxy-6-methoxy-2-isopropyl-1,4-naphthoquinone","Alias": "NA","Ingredient_formula": "C30H30O8","Ingredient_Smile": "CC1=C(C(=O)C2=CC(=C(C(=C2C1=O)C(C)C)OC)O)C3=C(C(=O)C4=C(C(=C(C=C4C3=O)O)OC)C(C)C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "33552","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4'-o-β-d-glucopyranosylgentiopicroside
{"Ingredient_id": "HBIN010746","Ingredient_name": "4'-o-\u03b2-d-glucopyranosylgentiopicroside","Alias": "NA","Ingredient_formula": "C22H30O14","Ingredient_Smile": "C=CC1C(OC=C2C1=CCOC2=O)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15616","TCMID_id": "8634","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6'-o-β-d-glucopyranosylgentiopicroside
{"Ingredient_id": "HBIN012642","Ingredient_name": "6'-o-\u03b2-d-glucopyranosylgentiopicroside","Alias": "NA","Ingredient_formula": "C22H30O14","Ingredient_Smile": "C=CC1C(OC=C2C1=CCOC2=O)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15617","TCMID_id": "8635","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
arillanin b
{"Ingredient_id": "HBIN016742","Ingredient_name": "arillanin b","Alias": "NA","Ingredient_formula": "C22H30O14","Ingredient_Smile": "COC1=C(C=CC(=C1)C=CC(=O)OC2C(C(OC2(CO)OC3C(C(C(C(O3)CO)O)O)O)CO)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1682","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
arillatose b
{"Ingredient_id": "HBIN016745","Ingredient_name": "arillatose b","Alias": "NA","Ingredient_formula": "C22H30O14","Ingredient_Smile": "COC1=C(C=CC(=C1)C=CC(=O)OCC2C(C(C(C(O2)OC3(C(C(C(O3)CO)O)O)CO)O)O)O)O","Ingredient_weight": "518.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1685","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "138113913","DrugBank_id": "NA"}
balanophonin-4-o-β-d-glucopyranoside
{"Ingredient_id": "HBIN017551","Ingredient_name": "balanophonin-4-o-\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C26H30O11","Ingredient_Smile": "COC1=CC(=CC2=C1OC(C2CO)C3=CC(=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)OC)C=CC=O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2126","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}