Exact Mass: 462.1623
Exact Mass Matches: 462.1623
Found 500 metabolites which its exact mass value is equals to given mass value 462.1623
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide
Verbasoside
Verbasoside is found in root vegetables. Verbasoside is isolated from Stachys sieboldii (Chinese artichoke). Isolated from Stachys sieboldii (Chinese artichoke). Verbasoside is found in root vegetables.
13-Hydroxy-5'-O-methylmelledonal
13-Hydroxy-5-O-methylmelledonal is found in mushrooms. 13-Hydroxy-5-O-methylmelledonal is a metabolite of Armillaria mellea (honey mushroom Metabolite of Armillaria mellea (honey mushroom). 13-Hydroxy-5-O-methylmelledonal is found in mushrooms.
Retrocalamin
Retrocalamin is found in citrus. Retrocalamin is a constituent of calamondin seeds (Citrus reticulata). Constituent of calamondin seeds (Citrus reticulata). Retrocalamin is found in citrus.
6-O-Methylarmillaridin
6-O-Methylarmillaridin is found in mushrooms. 6-O-Methylarmillaridin is a metabolite of Armillaria mellea (honey mushroom Metabolite of Armillaria mellea (honey mushroom). 6-O-Methylarmillaridin is found in mushrooms.
4-O-Carboxymethyl ascochlorin
N-(3-(4-Methylpiperazin-1-yl)phenyl)-8-(4-(methylsulfonyl)phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
Dorzagliatin
Invertin
Invertin, also known as doxycycline or monodox, is a member of the class of compounds known as tetracyclines. Tetracyclines are polyketides having an octahydrotetracene-2-carboxamide skeleton, substituted with many hydroxy and other groups. Invertin is practically insoluble (in water) and an extremely strong acidic compound (based on its pKa). Invertin can be found in common verbena, which makes invertin a potential biomarker for the consumption of this food product. Invertin is an enzyme that catalyzes the hydrolysis (breakdown) of sucrose (table sugar). Alternate names for invertase include EC 3.2.1.26, saccharase, glucosucrase, beta-h-fructosidase, beta-fructosidase, invertin, sucrase, maxinvert L 1000, fructosylinvertase, alkaline invertase, acid invertase, and the systematic name: beta-fructofuranosidase. The resulting mixture of fructose and glucose is called inverted sugar syrup. Related to invertases are sucrases. Invertins and sucrases hydrolyze sucrose to give the same mixture of glucose and fructose. Invertins cleave the O-C(fructose) bond, whereas the sucrases cleave the O-C(glucose) bond .
ForsythosideE
Forsythoside E is a natural product found in Forsythia suspensa and Firmiana simplex with data available. Forsythoside E is a phenylethanoid glycoside isolated from the fruits of forsythia suspense (thunb.) vahl[1]. Forsythoside E is a phenylethanoid glycoside isolated from the fruits of forsythia suspense (thunb.) vahl[1].
9,10-Dimethoxypterocarpan 3-glucoside
Methylnissolin-3-O-glucoside (Methylnissolin-3-O-β-D-glucoside) is a flavonoid from the roots of Astragalus membranaceus with anti-inflammatory effects[1]. Methylnissolin-3-O-glucoside (Methylnissolin-3-O-β-D-glucoside) is a flavonoid from the roots of Astragalus membranaceus with anti-inflammatory effects[1].
eupalinolide A
Eupalinolide A, isolated from Eupatorium lindleyanum, induces the expression of HSP70 via the activation of HSF1 by inhibiting the interaction between HSF1 and HSP90[1]. Eupalinolide A, isolated from Eupatorium lindleyanum, induces the expression of HSP70 via the activation of HSF1 by inhibiting the interaction between HSF1 and HSP90[1]. Eupalinolide B is a germacrane sesquiterpene isolated from Eupatorium lindleyanum. Eupalinolide B demonstrates potent cytotoxicity against A-549, BGC-823 and HL-60 tumour cell lines[1]. Eupalinolide B is a germacrane sesquiterpene isolated from Eupatorium lindleyanum. Eupalinolide B demonstrates potent cytotoxicity against A-549, BGC-823 and HL-60 tumour cell lines[1].
Eupalinolide
Eupalinolide A, isolated from Eupatorium lindleyanum, induces the expression of HSP70 via the activation of HSF1 by inhibiting the interaction between HSF1 and HSP90[1]. Eupalinolide A, isolated from Eupatorium lindleyanum, induces the expression of HSP70 via the activation of HSF1 by inhibiting the interaction between HSF1 and HSP90[1]. Eupalinolide B is a germacrane sesquiterpene isolated from Eupatorium lindleyanum. Eupalinolide B demonstrates potent cytotoxicity against A-549, BGC-823 and HL-60 tumour cell lines[1]. Eupalinolide B is a germacrane sesquiterpene isolated from Eupatorium lindleyanum. Eupalinolide B demonstrates potent cytotoxicity against A-549, BGC-823 and HL-60 tumour cell lines[1].
Forsythoside
Forsythoside is a natural product found in Forsythia viridissima with data available. Forsythoside E is a phenylethanoid glycoside isolated from the fruits of forsythia suspense (thunb.) vahl[1]. Forsythoside E is a phenylethanoid glycoside isolated from the fruits of forsythia suspense (thunb.) vahl[1].
Methylnissolin-3-O-glucoside
Methylnissolin-3-O-glucoside (Methylnissolin-3-O-β-D-glucoside) is a flavonoid from the roots of Astragalus membranaceus with anti-inflammatory effects[1]. Methylnissolin-3-O-glucoside (Methylnissolin-3-O-β-D-glucoside) is a flavonoid from the roots of Astragalus membranaceus with anti-inflammatory effects[1].
Bletilol B
2-(4-Hydroxyphenyl)-ethyl-(6-O-caffeoyl)-beta-D-glucopyranoside
Cyrtopterin
Cyrtopterin is a glycoside and a member of flavonoids.
Methylnissolin 3-O-glucoside
Methylnissolin-3-O-glucoside (Methylnissolin-3-O-β-D-glucoside) is a flavonoid from the roots of Astragalus membranaceus with anti-inflammatory effects[1]. Methylnissolin-3-O-glucoside (Methylnissolin-3-O-β-D-glucoside) is a flavonoid from the roots of Astragalus membranaceus with anti-inflammatory effects[1].
Lactiflorin
An organic heteropentacyclic compound with formula C23H26O10, isolated from several species of Paeoniae. Lactiflorin is an organic heteropentacyclic compound with formula C23H26O10, isolated from several species of Paeoniae. It has a role as a plant metabolite. It is a benzoate ester, an organic heteropentacyclic compound, a cyclic ketal, a cyclic ketone and a bridged compound. (+)-Lactiflorin is a natural product found in Paeonia lactiflora, Paeonia anomala, and Paeonia emodi with data available. Lactiflorin, a monoterpene glycoside from paeony root, possesses nephroprotective effect[1]. Lactiflorin, a monoterpene glycoside from paeony root, possesses nephroprotective effect[1].
Euchrenone b3
2-feruoylmethylphenyl-beta-D-glucopyranoside|populoside C
4-O-(4-Hydeoxycinnamoyl)-2-(3,4-Dihydroxyphenyl)ethyl beta-D-glucopy-ranoside
6-O-coumaroyl-1-O-[2-(3,4-dihydroxyphenyl)ethyl]-beta-D-glucopyranoside
N,N-Bis-(2-hydroxy-5-oxo-cyclopent-1-enyl)-hexadeca-2t,4t,6t,8t,10t,12t,14t-heptaendisaeure-diamid|N,N-bis-(2-hydroxy-5-oxo-cyclopent-1-enyl)-hexadeca-2t,4t,6t,8t,10t,12t,14t-heptaenedioic acid diamide
(2R)-5,7-dimethoxyflavanone-4-O-glucoside|5,7-dimethoxy-4-O-beta-D-glucopyranosideflavanone
1-O-beta-D-glucopyranosyl-1S,4aS,5S,7aS-tetrahydro-5alpha-butoxy-7-(hydroxymethyl)-cyclopenta[c]pyran-4-carboxylic acid|rhodolatouside A
3,4-dimethoxyphenyl 1-O-alpha-L-rhamnopyranosyl-(1?6)-O-beta-D-glucopyranoside|3,4-dimethoxyphenyl-6-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranoside
4-hydroxy-2-methyl-2-[(1E)-4-methylpenta-1,3-dienyl]-2H-3,9-dioxadibenzo[a,de]naphthacene-10,15-dione|adenophyllone
(3S)-6,8-dihydroxy-3-(4-hydroxyphenylethyl)-3,4-dihydroisocoumarin 6-O-beta-D-glucopyranoside|desmethylagrimonolide 6-O-beta-D-glucopyranoside
2-(3,4-dihydroxyphenyl)ethyl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-allopyranoside|2-(3,4-dihydroxyphenyl)ethyl O-alpha-L-rhamnopyranosyl-(1->2)-beta-D-allopyranoside|2-O-alpha-L-rhamnopyranosyl-beta-D-allopyranoside
2-(4-hydroxyphenyl)-ethyl-O-beta-D-glucopyranosyl-6-O-beta-D-glucopyranoside
vanillic acid 1-O-[beta-D-apiofuranosyl-(1?6)-beta-D-glucopyranoside]ester
homovanillyl alcohol 4-O-beta-D-apiofuranosyl-(1?6)-beta-D-glucopyranoside|pteleifoside E
6-O-beta-apiofuranosyl-[5-O-(3-methoxy,4-hydroxybenzoyl)oxy]-alpha/beta-glucopyranoside
9,10-dimethoxypterocarpane-3-O-beta-D-glucopyranoside
2-methoxy-4-hydroxymethylphenol 1-O-alpha-rhamnopyranosyl-(1->6)-beta-D-glucopyranoside
beta-D-glucopyranosyl 4-O-beta-D-glucopyranosylbenzoate
2-hydroxy-4,5-methylenedioxyphenol-1-O-alpha-L-rhamnopyranosyl-(1->6)-beta-D-glucopyranoside
2-hydroxy-5-(2-hydroxyethyl)phenol 1-O-alpha-rhamnopyranosyl-(1->6)-O-beta-glucopyranoside|calophymembranside B
Ser Asn Gln Asp
C20H30O12_Hexopyranoside, 3,4-dimethoxyphenyl 6-O-(6-deoxy-alpha-L-mannopyranosyl)
C19H26O13_beta-D-Fructofuranosyl 6-O-(4-hydroxybenzoyl)-alpha-D-glucopyranoside
[(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 4-hydroxybenzoate
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-methyloxane-3,4,5-triol
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-methyloxane-3,4,5-triol_major
[(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 4-hydroxybenzoate_major
Ala Asp Glu Glu
Ala Glu Asp Glu
Ala Glu Glu Asp
Cys Asp Glu Pro
Cys Asp Pro Glu
Cys Glu Asp Pro
Cys Glu Pro Asp
Cys Phe Gly His
Cys Phe His Gly
Cys Gly Phe His
Cys Gly His Phe
Cys His Phe Gly
Cys His Gly Phe
Cys Pro Asp Glu
Cys Pro Glu Asp
Asp Ala Glu Glu
Asp Cys Glu Pro
Asp Cys Pro Glu
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Asp Asp Val Asp
Asp Glu Ala Glu
Asp Glu Cys Pro
Asp Glu Glu Ala
Asp Glu Pro Cys
Asp Met Pro Thr
Asp Met Thr Pro
Asp Asn Asn Thr
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Asp Asn Ser Gln
Asp Asn Thr Asn
Asp Pro Cys Glu
Asp Pro Glu Cys
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Asp Pro Thr Met
Asp Gln Asn Ser
Asp Gln Ser Asn
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Asp Ser Gln Asn
Asp Thr Met Pro
Asp Thr Asn Asn
Asp Thr Pro Met
Asp Val Asp Asp
Glu Ala Asp Glu
Glu Ala Glu Asp
Glu Cys Asp Pro
Glu Cys Pro Asp
Glu Asp Ala Glu
Glu Asp Cys Pro
Glu Asp Glu Ala
Glu Asp Pro Cys
Glu Glu Ala Asp
Glu Glu Asp Ala
Glu Glu Glu Gly
Glu Glu Gly Glu
Glu Gly Glu Glu
Glu Met Pro Ser
Glu Met Ser Pro
Glu Asn Asn Ser
Glu Asn Ser Asn
Glu Pro Cys Asp
Glu Pro Asp Cys
Glu Pro Met Ser
Glu Pro Ser Met
Glu Ser Met Pro
Glu Ser Asn Asn
Glu Ser Pro Met
Phe Cys Gly His
Phe Cys His Gly
Phe Gly Cys His
Phe Gly His Cys
Phe His Cys Gly
Phe His Gly Cys
Gly Cys Phe His
Gly Cys His Phe
Gly Glu Glu Glu
Gly Phe Cys His
Gly Phe His Cys
Gly His Cys Phe
Gly His Phe Cys
Gly His Ser Tyr
Gly His Tyr Ser
Gly Asn Ser Trp
Gly Asn Trp Ser
Gly Ser His Tyr
Gly Ser Asn Trp
Gly Ser Trp Asn
Gly Ser Tyr His
Gly Trp Asn Ser
Gly Trp Ser Asn
Gly Tyr His Ser
Gly Tyr Ser His
His Cys Phe Gly
His Cys Gly Phe
His Phe Cys Gly
His Phe Gly Cys
His Gly Cys Phe
His Gly Phe Cys
His Gly Ser Tyr
His Gly Tyr Ser
His Ser Gly Tyr
His Ser Tyr Gly
His Tyr Gly Ser
His Tyr Ser Gly
Met Asp Pro Thr
Met Asp Thr Pro
Met Glu Pro Ser
Met Glu Ser Pro
Met Pro Asp Thr
Met Pro Glu Ser
Met Pro Ser Glu
Met Pro Thr Asp
Met Ser Glu Pro
Met Ser Pro Glu
Met Thr Asp Pro
Met Thr Pro Asp
Asn Asp Asn Thr
Asn Asp Gln Ser
Asn Asp Ser Gln
Asn Asp Thr Asn
Asn Glu Asn Ser
Asn Glu Ser Asn
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Asn Gly Trp Ser
Asn Asn Asp Thr
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Asn Asn Ser Glu
Asn Asn Thr Asp
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Asn Gln Ser Asp
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Asn Ser Glu Asn
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Asn Ser Gln Asp
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Asn Trp Ser Gly
Pro Cys Asp Glu
Pro Cys Glu Asp
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Pro Asp Glu Cys
Pro Asp Met Thr
Pro Asp Thr Met
Pro Glu Cys Asp
Pro Glu Asp Cys
Pro Glu Met Ser
Pro Glu Ser Met
Pro Met Asp Thr
Pro Met Glu Ser
Pro Met Ser Glu
Pro Met Thr Asp
Pro Ser Glu Met
Pro Ser Met Glu
Pro Thr Asp Met
Pro Thr Met Asp
Gln Asp Asn Ser
Gln Asp Ser Asn
Gln Asn Asp Ser
Gln Asn Ser Asp
Gln Ser Asp Asn
Gln Ser Asn Asp
Ser Asp Asn Gln
Ser Asp Gln Asn
Ser Glu Met Pro
Ser Glu Asn Asn
Ser Glu Pro Met
Ser Gly His Tyr
Ser Gly Asn Trp
Ser Gly Trp Asn
Ser Gly Tyr His
Ser His Gly Tyr
Ser His Tyr Gly
Ser Met Glu Pro
Ser Met Pro Glu
Ser Asn Asp Gln
Ser Asn Glu Asn
Ser Asn Gly Trp
Ser Asn Asn Glu
Ser Asn Trp Gly
Ser Pro Glu Met
Ser Pro Met Glu
Ser Gln Asp Asn
Ser Gln Asn Asp
Ser Trp Gly Asn
Ser Trp Asn Gly
Ser Tyr Gly His
Ser Tyr His Gly
Thr Asp Met Pro
Thr Asp Asn Asn
Thr Asp Pro Met
Thr Met Asp Pro
Thr Met Pro Asp
Thr Asn Asp Asn
Thr Asn Asn Asp
Thr Pro Asp Met
Thr Pro Met Asp
Val Asp Asp Asp
Trp Gly Asn Ser
Trp Gly Ser Asn
Trp Asn Gly Ser
Trp Asn Ser Gly
Trp Ser Gly Asn
Trp Ser Asn Gly
Tyr Gly His Ser
Tyr Gly Ser His
Tyr His Gly Ser
Tyr His Ser Gly
Tyr Ser Gly His
Tyr Ser His Gly
CAY10593
4-O-Methylarmillaridin
Verbasoside
Ethyl 16-hydroxy-18-bromo-8E,17E19Z-tricosatrien-4,6-diynoate
Ethyl 16-hydroxy-18-bromo-8E,17E19Z-tricosatrien-4,6-diynoate
Cariprazine HCl
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent Cariprazine hydrochloride is a novel antipsychotic agent candidate that exhibits high affinity for the D3 (Ki=0.085 nM) and D2 (Ki=0.49 nM) receptors, and moderate affinity for the 5-HT1A receptor (Ki=2.6 nM).
CEP-33779
3-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-N-[2-(dimethylamino)ethyl]propanamide
(2R)-6-CHLORO-2-METHYL-8-NITRO-2H-1,4-BENZOXAZIN-3(4H)-ONE
(2s,3s)-(+)-2,3-bis(diphenylphosphino)-bicyclo[2.2.1]hept-5-ene
3-{3-[4-(2-(2,2,2-trifluoroethoxy)phenyl)piperazin-1-yl]propyl}-5-methyl-2,4(1H,3H)-pyrimidinedione
1-CARBETHOXYCYCLOPROPYLTRIPHENYLPHOSPHONIUMTETRAFLUOROBORATE
Perospirone hydrochloride
Perospirone hydrochloride (SM-9018) is an orally active antagonist of 5-HT2A receptor (Ki of 0.6 nM) and dopamine D2 receptor (Ki of 1.4 nM). Perospirone hydrochloride is also a partial agonist of 5-HT1A receptor (Ki of 2.9 nM). Perospirone hydrochloride is an atypical antipsychotic agent and has the potential for schizophrenic disease research[1][2].
Dorzagliatin
A - Alimentary tract and metabolism > A10 - Drugs used in diabetes > A10B - Blood glucose lowering drugs, excl. insulins C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent
(3β)-Androsta-5,16-diene-3,17-diol 3-Acetate 17-(Trifluoromethanesulfonate)
6-coumaroyl-1-O-[2-(3,4-dihydroxyphenyl)ethyl]-beta-D-glucopyranoside
A cinnamate ester obtained by the formal condensation of trans-4-coumaric acid with 2-(3,4-dihydroxyphenyl)ethyl beta-D-glucopyranoside. It is a phenolic glycoside derivative obtained from the aerial parts of Globularia alypum and exhibits antioxidant activity.
Bis-1,2-{[(Z)-2carboxy-2-methyl-1,3-dioxane]-5-yloxycarbonyl}-piperazine
Doxycycline
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C784 - Protein Synthesis Inhibitor > C1595 - Tetracycline Antibiotic D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents C254 - Anti-Infective Agent > C258 - Antibiotic
9,10-dimethoxypterocarpan-3-O-beta-D-glucoside
A member of the class of pterocarpans that is 3-hydroxy-9,10-dimethoxypterocarpan in which the phenol hydrogen is replaced by a beta-D-glucosyl residue.
Dorzagliatin
2-[2-chloro-4-formyl-5-hydroxy-3-methyl-6-[(2E,4E)-3-methyl-5-(1,2,6-trimethyl-3-oxocyclohexyl)penta-2,4-dienyl]phenoxy]acetic acid
2-(4-Methoxyphenyl)acetic acid [2-[4-[(4-ethoxyanilino)-oxomethyl]anilino]-2-oxoethyl] ester
4-methyl-N-(3-methylphenyl)-N-[2-oxo-2-[(2-oxo-3-indolyl)hydrazo]ethyl]benzenesulfonamide
Asp-Met-Thr-Pro
A tetrapeptide composed of L-aspartic acid, L-methionine, L-threonine and L-proline joined in sequence by peptide linkages.
(1S,5R)-7-[4-(3-cyanophenyl)phenyl]-N-[4-(trifluoromethyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane-3-carboxamide
(2R,3R,3aS,9bS)-N-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-6-oxo-1-[oxo(3-pyridinyl)methyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
(2S,3S,3aR,9bR)-N-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-6-oxo-1-[oxo(3-pyridinyl)methyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
4-methoxyphenyl 3-O-(beta-D-glucopyranuronosyl)-beta-D-galactopyranoside
N-[3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypropyl]-N-(3-hydroxypropyl)formamide
Methyl 4-[3-(4-methoxy-3-methylbenzoyl)-1-(5-methyl-1,2-oxazol-3-yl)-4,5-dioxopyrrolidin-2-yl]benzoate
(3S)-4-[3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypropyl]morpholin-3-ol
2-Chloro-4-[[6-[3-[hydroxymethyl(3-hydroxypropyl)amino]propoxy]-7-methoxyquinazolin-4-yl]amino]phenol
Meclizine hydrochloride
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents D018926 - Anti-Allergic Agents
[(10R,12R,13S,14S,15R)-10,13,14-trihydroxy-12-(hydroxymethyl)-9-methyl-5-oxo-6,11,16-trioxapentacyclo[7.7.0.01,4.03,7.010,15]hexadecan-4-yl]methyl benzoate
abacavir 5-glucuronide
A glucosiduronic acid derivative formed by linkage of beta-D-glucosiduronic acid with the 5-oxygen of abacavir. One of the two major metabolites of abacavir in humans (the other is the 5-carboxylic acid, CHEBI:64192).
BI-3406
BI-3406 (compound I-6) is an orally active, highly potent and selective inhibitor of the interaction between KRAS and Son of Sevenless 1 (SOS1) with an IC50 of 6 nM. BI-3406 potently reduces the formation of GTP-loaded KRAS, and inhibits MAPK pathway signaling. BI-3406 has anticancer activity[1][2].
CP-465022
CP-465022 is a potent, and selective noncompetitive AMPA receptor antagonist with anticonvulsant activity. CP-465022 is against Kainate-induced response with an IC50?of 25 nM in rat cortical neurons. CP-465022 provides a new tool to investigate the role of AMPA receptors in physiological and pathophysiological processes[1][2].
JW 642
JW 642 is a potent inhibitor of monoacylglycerol lipase (MAGL) that displays IC50 values of 7.6, 14, and 3.7 nM for inhibition of MAGL in mouse, rat, and human brain membranes, respectively. IC50 value: 7.6/14/3.7 nM(mouse/rat/human MAGL) [1] Target: MAGL inhibitor JW 642 is selective for MAGL, requiring much higher concentrations to effectively inhibit fatty acid amide hydrolase activity (IC50s = 31, 14, and 20.6 μM for mouse, rat, and human brain membranes, respectively).
RS100329 (hydrochloride)
RS100329 hydrochloride is a potent and selective α1A-adrenoceptor antagonist with pKi values of 9.6, 7.9 and 7.5 for α1A, α1D, and α1B, respectively. RS100329 hydrochloride inhibits reflex urethral contractions. RS100329 hydrochloride can be used in research of benign prostatic hyperplasia[1][2].
VU0155069
VU0155069 (CAY10593), is a selective phospholipase D1 (PLD1) inhibitor with an IC50 value of 46 nM in vitro. VU0155069 (CAY10593) strongly inhibits the invasive migration of several cancer cell lines in transwell assays[1][2].
2-[4-(hydroxymethyl)-2-methoxyphenoxy]-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxane-3,4,5-triol
methyl (2r,4s)-4-{6,14-dihydroxy-13-methoxy-4,12-dimethyl-10-oxo-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3,5,7,12,14-hexaen-15-yl}-4-ethoxy-2-hydroxybutanoate
[7-hydroxy-2-(3-hydroxy-5-methoxyphenyl)-10-methoxy-2h,3h,4h,5h-phenanthro[2,1-b]furan-3-yl]methyl acetate
(2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
methyl (1r,2s,6s,7s,8s,9e,11r)-8-(acetyloxy)-11-hydroxy-13-methyl-7-{[(2e)-2-methylbut-2-enoyl]oxy}-5-methylidene-4-oxo-3,14-dioxatricyclo[9.2.1.0²,⁶]tetradeca-9,12-diene-9-carboxylate
[3-hydroxy-9-(4-hydroxy-3-methoxyphenyl)-1-methoxy-5h,6h,9h,10h-phenanthro[2,3-b]furan-10-yl]methyl acetate
(2r,3r,4r,5r,6s)-2-{[(2r,3s,4s,5r,6r)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy}-6-methyloxane-3,4,5-triol
methyl (1s,2s,4s,7s,9s,10s,12r,15s)-2-(acetyloxy)-7-(furan-3-yl)-4-hydroxy-9-methyl-5,14-dioxo-6,13-dioxatetracyclo[10.2.2.0¹,¹⁰.0⁴,⁹]hexadecane-15-carboxylate
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoate
2-(1-butoxyhexyl)-7-chloro-1,3,6,8-tetrahydroxyanthracene-9,10-dione
[(3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-12-methyl-14-oxo-2,7,9,13-tetraoxapentacyclo[8.7.0.0¹,¹⁵.0³,⁸.0¹²,¹⁶]heptadecan-15-yl]methyl benzoate
(2r,3s,4r,5r,6r)-4,5-dihydroxy-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxan-3-yl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
(3r)-3-(3,4-dimethoxyphenyl)-8-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2-benzopyran-1-one
ethyl 18-bromo-16-hydroxytricosa-8,17,19-trien-4,6-diynoate
[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[2-hydroxy-4-(3-oxobutyl)phenoxy]oxan-2-yl]methyl 4-hydroxybenzoate
5-methyl-11-{5-methylindolo[3,2-b]quinolin-11-yl}indolo[3,2-b]quinoline
(2r,2as,4as,7as,7br)-3-formyl-2a-methoxy-6,6,7b-trimethyl-1h,2h,4ah,5h,7h,7ah-cyclobuta[e]inden-2-yl 3-chloro-6-hydroxy-4-methoxy-2-methylbenzoate
11-chloro-10,15-dihydroxy-6,14,18,18,22-pentamethyl-7,13-dioxapentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁷,²²]docosa-3,9,11-triene-8,19-dione
ethyl (8e,16r,17e,19e)-18-bromo-16-hydroxytricosa-8,17,19-trien-4,6-diynoate
methyl (2z,7e)-9-(acetyloxy)-10-(2,3-dimethyloxirane-2-carbonyloxy)-3-methyl-12-methylidene-13-oxo-5,14-dioxatricyclo[9.3.0.0⁴,⁶]tetradeca-2,7-diene-8-carboxylate
{6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,4,5-trihydroxyoxan-2-yl}methyl 3-(4-hydroxyphenyl)prop-2-enoate
2-(3,4-dimethoxyphenoxy)-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxane-3,4,5-triol
(2s,3r,4r,5r,6s)-2-{[(2r,3r,4r,5s,6r)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol
[(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl]methyl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
2-{[1-(3,4-dihydroxyphenyl)-1-hydroxy-5-(4-hydroxyphenyl)pent-4-yn-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
1,5-bis(3,4-dihydroxyphenyl)-4-pentyne-1,2-diol; (1r,2r)-form,3''-deoxy,2-o-beta-d-glucopyranoside
{"Ingredient_id": "HBIN001643","Ingredient_name": "1,5-bis(3,4-dihydroxyphenyl)-4-pentyne-1,2-diol; (1r,2r)-form,3''-deoxy,2-o-beta-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C23H26O10","Ingredient_Smile": "NA","Ingredient_weight": "462.45","OB_score": "NA","CAS_id": "186202-11-9","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9510","PubChem_id": "NA","DrugBank_id": "NA"}
2-(4-hydroxyphenyl)- ethyl-(6-O- caffeoyl)-β-D- glucopyranoside
{"Ingredient_id": "HBIN004420","Ingredient_name": "2-(4-hydroxyphenyl)- ethyl-(6-O- caffeoyl)-\u03b2-D- glucopyranoside","Alias": "NA","Ingredient_formula": "C23H26O10","Ingredient_Smile": "C1=CC(=CC=C1CCOC2C(C(C(C(O2)COC(=O)C=CC3=CC(=C(C=C3)O)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "36404","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-o-methylscorzocreticoside i
{"Ingredient_id": "HBIN012700","Ingredient_name": "6-o-methylscorzocreticoside i","Alias": "NA","Ingredient_formula": "C23H26O10","Ingredient_Smile": "COC1=CC=C(C=C1)C2CC3=C(C(=CC(=C3)OC)OC4C(C(C(C(O4)CO)O)O)O)C(=O)O2","Ingredient_weight": "462.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14715","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "11518288","DrugBank_id": "NA"}
blestrin C
{"Ingredient_id": "HBIN018665","Ingredient_name": "blestrin C","Alias": "blestrin c","Ingredient_formula": "C30H22O5","Ingredient_Smile": "COC1=C2C(=CC(=C1)C3=C4C=CC5=C(C4=C(C=C3O)OC)C=CC(=C5)O)C=CC6=C2C=CC(=C6)O","Ingredient_weight": "462.5 g/mol","OB_score": "13.99232874","CAS_id": "NA","SymMap_id": "SMIT07493","TCMID_id": "2513","TCMSP_id": "MOL005781","TCM_ID_id": "6162","PubChem_id": "101636138","DrugBank_id": "NA"}