Exact Mass: 390.162
Exact Mass Matches: 390.162
Found 500 metabolites which its exact mass value is equals to given mass value 390.162
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Loganin
Loganin is an iridoid monoterpenoid with formula C17H26O10 that is isolated from several plant species and exhibits neuroprotective and anti-inflammatory properties. It has a role as a plant metabolite, a neuroprotective agent, an EC 3.4.23.46 (memapsin 2) inhibitor, an EC 3.2.1.20 (alpha-glucosidase) inhibitor, an anti-inflammatory agent and an EC 3.1.1.7 (acetylcholinesterase) inhibitor. It is a cyclopentapyran, a beta-D-glucoside, an enoate ester, a monosaccharide derivative, an iridoid monoterpenoid, a methyl ester and a secondary alcohol. It is functionally related to a loganetin. Loganin is one of the best-known of the iridoid glycosides. It is named for the Loganiaceae, having first been isolated from the seeds of a member of that plant family, namely those of Strychnos nux-vomica. It also occurs in Alstonia boonei (Apocynaceae),[1] a medicinal tree of West Africa and in the medicinal/entheogenic shrub Desfontainia spinosa (Columelliaceae) native to Central America and South America. Loganin is a natural product found in Strychnos axillaris, Lonicera japonica, and other organisms with data available. An iridoid monoterpenoid with formula C17H26O10 that is isolated from several plant species and exhibits neuroprotective and anti-inflammatory properties. Loganin, also known as loganoside, is a member of the class of compounds known as iridoid o-glycosides. Iridoid o-glycosides are iridoid monoterpenes containing a glycosyl (usually a pyranosyl) moiety linked to the iridoid skeleton. Thus, loganin is considered to be an isoprenoid lipid molecule. Loganin is soluble (in water) and a very weakly acidic compound (based on its pKa). Loganin can be found in a number of food items such as groundcherry, annual wild rice, muscadine grape, and broad bean, which makes loganin a potential biomarker for the consumption of these food products. Loganin is one of the best-known of the iridoid glycosides.It is named for the Loganiaceae,having first been isolated from the seeds of a member of that plant family, namely those of Strychnos nux-vomica. It also occurs in Alstonia boonei (Apocynaceae), a medicinal tree of West Africa and in the medicinal/entheogenic shrub Desfontainia spinosa (Columelliaceae) native to Central America and South America . Loganin is formed from loganic acid by the enzyme loganic acid O-methyltransferase (LAMT). Loganin then becomes a substrate for the enzyme secologanin synthase (SLS) to form secologanin, a secoiridoid monoterpene found as part of ipecac and terpene indole alkaloids. Loganin is the main iridoid glycoside compound in Cornus officinalis and has anti-inflammatory and anti-shock effects. Loganin is the main iridoid glycoside compound in Cornus officinalis and has anti-inflammatory and anti-shock effects.
Compound II(R/S)
Todatriol glucoside
Todatriol glucoside is a constituent of the fruit of Carum ajowan (ajowan). Constituent of the fruit of Carum ajowan (ajowan)
(2S,4S,6S)-2-[2-(4-Hydroxy-3-meyhoxyphenyl)ethyl]tetrahydro-6-(4,5-dihydroxy-3-methoxyphenyl)-2H-pyran-4-ol
(2S,4S,6S)-2-[2-(4-Hydroxy-3-meyhoxyphenyl)ethyl]tetrahydro-6-(4,5-dihydroxy-3-methoxyphenyl)-2H-pyran-4-ol is found in herbs and spices. (2S,4S,6S)-2-[2-(4-Hydroxy-3-meyhoxyphenyl)ethyl]tetrahydro-6-(4,5-dihydroxy-3-methoxyphenyl)-2H-pyran-4-ol is a constituent of Zingiber officinale (ginger) Constituent of Zingiber officinale (ginger). (2S,4S,6S)-2-[2-(4-Hydroxy-3-meyhoxyphenyl)ethyl]tetrahydro-6-(4,5-dihydroxy-3-methoxyphenyl)-2H-pyran-4-ol is found in herbs and spices.
Rosmic acid
Rosmic acid is found in herbs and spices. Rosmic acid is a constituent of Rosmarinus officinalis (rosemary)
Tryptophyl-Tryptophan
Tryptophyl-Tryptophan is a dipeptied compoosed of two tryptophan residues. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Loganoside
Loganin is the main iridoid glycoside compound in Cornus officinalis and has anti-inflammatory and anti-shock effects. Loganin is the main iridoid glycoside compound in Cornus officinalis and has anti-inflammatory and anti-shock effects.
Arctigenic acid
Flibanserin
C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist G - Genito urinary system and sex hormones Flibanserin (BIMT-17; BIMT-17BS) is an orally active serotonin 5-HT1A receptor agonist and 5-HT2A receptor antagonist with Ki values of 1 nM and 49 nM, respectively. Flibanserin binds to dopamine D4 receptors with an Ki value of 4-24 nM. Flibanserin shows anti-depression and anti-anxiety effect, can be used to hypoactive sexual desire disorder (HSDD) research[1]-[5].
Ethyl 5-benzyloxy-4-methoxymethyl-beta-carboline-3-carboxylate
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D002491 - Central Nervous System Agents > D000927 - Anticonvulsants
Pseudolaric Acid C
CID 6440704 is a natural product found in Pseudolarix amabilis and Larix kaempferi with data available. Pseudolaric C is a diterpenoid isolated from the root bark of Pseudolarix amabilis, has antifungal activity[1]. Pseudolaric C is a diterpenoid isolated from the root bark of Pseudolarix amabilis, has antifungal activity[1].
Yocon
A plant alkaloid with alpha-2-adrenergic blocking activity. Yohimbine has been used as a mydriatic and in the treatment of ERECTILE DYSFUNCTION. See also: Yohimbine (has active moiety). Yohimbine Hydrochloride is an alpha 2-adrenoreceptor antagonist, blocking the pre- and postsynaptic alpha-2 adrenoreceptors and causing an increased release of noradrenaline and dopamine. Yohimbine Hydrochloride is an alpha 2-adrenoreceptor antagonist, blocking the pre- and postsynaptic alpha-2 adrenoreceptors and causing an increased release of noradrenaline and dopamine.
Pseudolaric
Pseudolaric C is a diterpenoid isolated from the root bark of Pseudolarix amabilis, has antifungal activity[1]. Pseudolaric C is a diterpenoid isolated from the root bark of Pseudolarix amabilis, has antifungal activity[1].
[3aS-(3aalpha,4alpha,5alpha,9alpha,9aalpha,9bbeta)]-5-(Acetyloxy)-2,3,3a,4,5,9,9a,9b-octahydro-9-hydroxy-6,9-dimethyl-3-methylene-2-oxoazuleno[4,5-b]furan-4-yl ester 2-methylpropanoic acid
[3aS-(3aalpha,4alpha,5alpha,9beta,9aalpha,9bbeta)]-5-(Acetyloxy)-2,3,3a,4,5,9,9a,9b-octahydro-9-hydroxy-6,9-dimethyl-3-methylene-2-oxoazuleno[4,5-b]furan-4-yl ester 2-methylpropanoic acid
Rosmic acid
PD-0333941
CONFIDENCE standard compound; INTERNAL_ID 266; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5220; ORIGINAL_PRECURSOR_SCAN_NO 5217 CONFIDENCE standard compound; INTERNAL_ID 266; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5221; ORIGINAL_PRECURSOR_SCAN_NO 5219 CONFIDENCE standard compound; INTERNAL_ID 266; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5258; ORIGINAL_PRECURSOR_SCAN_NO 5256 CONFIDENCE standard compound; INTERNAL_ID 266; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5239; ORIGINAL_PRECURSOR_SCAN_NO 5234 CONFIDENCE standard compound; INTERNAL_ID 266; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5321; ORIGINAL_PRECURSOR_SCAN_NO 5318 CONFIDENCE standard compound; INTERNAL_ID 266; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5240; ORIGINAL_PRECURSOR_SCAN_NO 5238 CONFIDENCE standard compound; INTERNAL_ID 266; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9763; ORIGINAL_PRECURSOR_SCAN_NO 9762 CONFIDENCE standard compound; INTERNAL_ID 266; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9786; ORIGINAL_PRECURSOR_SCAN_NO 9781 CONFIDENCE standard compound; INTERNAL_ID 266; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9813; ORIGINAL_PRECURSOR_SCAN_NO 9811 CONFIDENCE standard compound; INTERNAL_ID 266; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9834; ORIGINAL_PRECURSOR_SCAN_NO 9832 CONFIDENCE standard compound; INTERNAL_ID 266; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9806; ORIGINAL_PRECURSOR_SCAN_NO 9804 CONFIDENCE standard compound; INTERNAL_ID 266; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9850; ORIGINAL_PRECURSOR_SCAN_NO 9846
(3beta,6alpha,8alpha)-3-(acetyloxy)-8-{[2-(hydroxymethyl)acryloyl]oxy}eudesma-1,11(13)-dieno-12,6-lactone|loloanolide A|rel-(3aR,4S,5aS,8S,9S,9aS,9bR)-8-(acetyloxy)-2,3,3a,4,5,5a,8,9,9a,9b-decahydro-5a,9-dimethyl-3-methylene-2-oxonaphto[1,2-b]furan-4-yl 2-(hydroxymethyl)prop-2-enoate
(3S,6R,7R,8R)-3-Hydroxy-8-acetoxysarracenyloxygermacra-1(10),4,11(13)-trien-6,12-olide
13-acetoxy-8alpha-methacryloyloxy-4beta-hydroxy-bourbon-7(11)-en-6,12-olide
15-O-butanedioylpodocarpen-5,8(14)-dien-6-hydroxy-7,13-dione|abiesanordine A
8-Ac,3-O-(3-methylbutanoyl)-2-(2,4-hexadiynylidene)-1,6-dioxaspiro[4.5]decane-3,4,8-triol
7-methoxy-8-[1-methoxy-2,4-dihydroxy-3-methylene-4-O-isovaleryl-butyl]coumarin|micromeloside C
(4R,6R,7S,8R,10S)-3-Oxo-8-acetoxysarracenyloxyjujuyensa-1,11(13)-dien-6,12-olide
(+)- justiciresinol|(+)-5-methoxylariciresinol|(+)-methoxylariciresinol
6-(2-Methylpropanoyl),8-Ac-(1alpha,5beta,6alpha,8beta,9beta,10alpha)-6,8-Dihydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,9-olide|8-O-acetyl-desacyllinearifolin B-6-O-isobutyrate
3-Angeloyl,7-(2-methylpropanoyl),8-Ac-9,10-Epoxy-P-mentha-1,3,5-triene-3,7,8-triol|9-acetoxy-7-isobutyryloxy-8,10-dihydro-8,10-epoxythymol-angelate
methyl-3-(3-hydroxy-3,3-dimethylprop-1-enyl)-4-O-(beta-acetoxybutyryl)-coumarate
8-desacyl-2,3-trans-ereglomerulide-8-O-methacrylate
(+)-(6R,7S,8S)-5-methoxyisolariciresinol|(-)-5-Methoxyisolariciresinol|5-methoxy-(+)-isolariciresinol|lyoniresinol
1,7-Bis(3,4-dihydroxyphenyl)-3-acetoxy-5-hydroxyheptane
4,5,7-trihydroxy-3,3,5-trimethoxy-8,4-oxyneolign-7E-ene
(2R,3R,4S,5S)-6,8-dimethoxy-7-(3,7-dimethyl-4,5-epoxy-2-hydroxyocta-6-enyloxy)coumarin|altissimacoumarin F
(+)-7-methoxyariciresinol|(7S*,8R*,8S*)-3,3,7-trimethoxy-4,9,4-trihydroxy-8.8,7.0.9-lignan
(1R,3S,5S,6S)-1,5-epoxy-3,6-dihydroxy-1,7-bis(3-methoxy-4-hydroxyphenyl)heptane|kravanhol A
(2S,3aR,4S,5aR,10aR,10bR)-2-(2,5-dihydro-2-hydroxy-5-oxofuran-3-yl)-2-methoxy-3a,4,10b-trimethyl-3,3a,4,5,5a,9,10,10b-octahydro-2H,7H-naphtho[4a,4-b:1,8-b?c?]difuran-7-one|ciliatolide C
(3R*,7R*,8S*)-3-(2-Methyl)propanoyloxy-15-acetoxy-14-oxomelampa-1(10),4,11(13)-trien-8,12-olide
arctigenic acid|L-threo-4-Hydroxy-2-(4-hydroxy-3-methoxy-benzyl)-3-(3.4-dimethoxy-benzyl)-buttersaeure|L-threo-4-hydroxy-2-(4-hydroxy-3-methoxy-benzyl)-3-(3.4-dimethoxy-benzyl)-butyric acid
(2R*,3S*,7R*,8S*)-2,3-Epoxy-14-acetoxy-15-(2-methyl)propanoyloxymelampa-1(10),4,11(13)-trien-8-12-olide
(-)-caulerpenynol|7,7-C-didehydro-6-hydroxy-6,7-dihydrocaulerpenyne|caulerpenynol
(4bS,7R,8aR,9S,10S)-7-Formyloxy-4b,5,6,7,8,8a,9,10-octahydro-3,9,10-trihydroxy-4b,8,8-trimethyl-2-(2-propenyl)phenanthren-1,4-dion
(1(10)E,4Z,6alpha,8beta,9alpha)-9-ethoxy-6,15-dihydroxy-8-(2-methylacryloxy)-14-oxogermacra-1(10),4,11(13)-trieno-12,6-lactone|rel-(3aR,4R,5R,6E,10Z,11aS)-5-ethoxy-6-formyl-2,3,3a,4,5,8,9,11a-octahydro-10-(hydroxymethyl)-3-methylidene-2-oxocyclodeca[b]furan-4-yl 2-methylprop-2-enoate
6-(2-Methyl-2-propenoyl),1-Ac-(1alpha,6beta,10beta)-1,6,10-Trihydroxyfuranoeremophlian-9-one
(3R,6R,7R,8R)-3-Acetoxy-8-sarracenyloxyhelianga-1(10),4,11(13)-trien-6,12-olide
3beta-angeloyloxy-8beta-methoxyeremophil-7(11)-ene-12,8alpha(14beta,6alpha)-diolide|3??-Angeloyloxy-8??-methoxyeremophil-7(11)-ene-12,8??(14??,6??)-diolide
(4S,1E)-3-[(Z)-acetoxymethylene]-10,11-epoxy-7,11-dimethyldodeca-1,10-dien-8-yne-1,4-diyl diacetate|10,11-epoxycaulerpenyne
4-Butyryl-6-(2,4-dioxo-6-propyl-3,4-dihydro-2H-pyran-3-ylmethyl)-2,2-dimethyl-cyclohexan-1,3,5-trion|4-butyryl-6-(2,4-dioxo-6-propyl-3,4-dihydro-2H-pyran-3-ylmethyl)-2,2-dimethyl-cyclohexane-1,3,5-trione
7-(3,7-dimethyl-7-hydroxy-2,3-oxy-5-octenyl)oxyisofraxidin|altissimacoumarin A
(acetoxymethyl-methylene-oxo-[?]yl)methyl 2-methylpropanoate
(3R*,7R*,8S*)-3-Acetoxy-15-(2-methyl)propanoyloxy-14-oxomelampa-1(10),4,11(13)-trien-8,12-olide
15-acetoxy-1alpha-<4-hydroxymethacryloyloxy>-arbusculin B
Rauwolscine HCl
Rauwolscine hydrochloride is a potent and specific α2 adrenergic receptor antagonist with a Ki of 12 nM. Rauwolscine hydrochloride is a potent and specific α2 adrenergic receptor antagonist with a Ki of 12 nM.
Yocon
A plant alkaloid with alpha-2-adrenergic blocking activity. Yohimbine has been used as a mydriatic and in the treatment of ERECTILE DYSFUNCTION. See also: Yohimbine (has active moiety). Yohimbine Hydrochloride is an alpha 2-adrenoreceptor antagonist, blocking the pre- and postsynaptic alpha-2 adrenoreceptors and causing an increased release of noradrenaline and dopamine. Yohimbine Hydrochloride is an alpha 2-adrenoreceptor antagonist, blocking the pre- and postsynaptic alpha-2 adrenoreceptors and causing an increased release of noradrenaline and dopamine.
C21H26O7_(2E,4E)-6-{[(5R,9aS,9bS)-9b-Hydroxy-6,6,9a-trimethyl-1-oxo-1,3,5,5a,6,7,8,9,9a,9b-decahydronaphtho[1,2-c]furan-5-yl]oxy}-6-oxo-2,4-hexadienoic acid
Ala Cys Pro Thr
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TRP-TRP
A dipeptide formed from two L-tryptophan residues.
5-{4-hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethyl]oxan-2-yl}-3-methoxybenzene-1,2-diol
[2-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]trimethylammonium
methyl (1S,15R,18S,19S,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate,hydrochloride
ZK93423
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D002491 - Central Nervous System Agents > D000927 - Anticonvulsants
RS 102895 hydrochloride
COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
2,8-Diazaspiro[5.5]undecane-1,3,7,9-tetrone, 2,8-bis(phenylmethyl)
N-[(2-chlorophenyl)methyl]-1-[4-[[(2-chlorophenyl)methylamino]methyl]cyclohexyl]methanamine
D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents > D000924 - Anticholesteremic Agents D009676 - Noxae > D000963 - Antimetabolites D004791 - Enzyme Inhibitors
epi-isochromophilone II
An azaphilone that is 7,8-dihydro-6H-isochromen-6-one substituted by a chloro group at position 5, a 3,5-dimethylhepta-1,3-dien-1-yl group at position 3, a hydroxy group at position 7, a methyl group at position 7 and a 2-oxopropyl group at position 8. Isolated from Chaetomium cupreum, it exhibits antifungal activity.
1-(3,4-Dimethoxyphenyl)sulfonyl-4-(2,6-dimethylphenyl)piperazine
4-[(2S,3R,4R)-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)oxolan-2-yl]-2,6-dimethoxyphenol
5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methyl isoxazole
Flibanserin
C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist G - Genito urinary system and sex hormones Flibanserin (BIMT-17; BIMT-17BS) is an orally active serotonin 5-HT1A receptor agonist and 5-HT2A receptor antagonist with Ki values of 1 nM and 49 nM, respectively. Flibanserin binds to dopamine D4 receptors with an Ki value of 4-24 nM. Flibanserin shows anti-depression and anti-anxiety effect, can be used to hypoactive sexual desire disorder (HSDD) research[1]-[5].
Yohimbine hydrochloride
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D009184 - Mydriatics D000089162 - Genitourinary Agents > D064804 - Urological Agents Yohimbine Hydrochloride is an alpha 2-adrenoreceptor antagonist, blocking the pre- and postsynaptic alpha-2 adrenoreceptors and causing an increased release of noradrenaline and dopamine. Yohimbine Hydrochloride is an alpha 2-adrenoreceptor antagonist, blocking the pre- and postsynaptic alpha-2 adrenoreceptors and causing an increased release of noradrenaline and dopamine.
(-)-5-Methoxyisolariciresinol
A lignan that is 5,6,7,8-tetrahydronaphthalen-2-ol substituted by two hydroxymethyl groups at positions 6 and 7, a methoxy group at position 3 and a 4-hydroxy-3,5-dimethoxyphenyl group at position 8. It has been isolated from the stems of Sinocalamus affinis.
3-[(3,4-dimethoxyphenyl)methyl]-4-hydroxy-2-[(4-hydroxy-3-methoxyphenyl)methyl]butanoic acid
(2S)-2-azaniumyl-5-[[(2R)-1-(carboxylatomethylamino)-3-hexylsulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoate
Glu-Gly-Trp
A tripeptide composed of L-glutamic acid, glycine and L-tryptophan joined in sequence by peptide linkages.
Trp-Ala-Asp
A tripeptide composed of L-tryptophan, L-alanine, and L-aspartic acid joined by a peptide linkage.
Cyclopentanecarboxylic acid [4-(benzenesulfonyl)-2-tert-butyl-5-methyl-3-pyrazolyl] ester
3-(1-Methyl-2-benzimidazolyl)-1-phenyl-2-pyrrolo[3,2-b]quinoxalinamine
N-(2-furanylmethyl)-3-[3-[(4-methoxyphenyl)methyl]-2-imidazo[4,5-b]pyridinyl]propanamide
(4-Methylphenyl)-[4-[4-nitro-2-(1-pyrrolyl)phenyl]-1-piperazinyl]methanone
5-Methoxy-8-(2-hydroxy-3-buthoxy-3-methylbutyloxy)psoralen
A member of the class of psoralens that is psoralen substituted by a methoxy group at position 4 and a [(2R)-3-butoxy-2-hydroxy-3-methylbutyl]oxy group at position 9. Isolated from the roots of Angelica dahurica, it exhibits inhibitory activity against COX-2 and 5-lipooxygenase.
(4R)-4-[(2R,3R,5R,6S)-3-hydroxy-5-(1H-indole-3-carbonyloxy)-6-methyloxan-2-yl]oxypentanoate
(4-fluorophenyl)-[(1S,5R)-7-[4-(2-fluorophenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]methanone
4-acetyl-1-[2-(1H-indol-3-yl)ethyl]-5-(3-methoxyphenyl)pyrrolidine-2,3-dione
3-[(2E)-5-[(Z)-(3-ethenyl-4-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-2-(2-phenylhydrazinylidene)-2H-pyrrol-3-yl]propanoic acid
methyl (3aR,4R,5R,6E,10E,11aR)-5-hydroxy-10-methyl-4-[(Z)-2-methylbut-2-enoyl]oxy-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxylate
5-[7-[2-Chloro-4-(4-methyl-4,5-dihydrooxazol-2-yl)phenoxy]heptyl]-3-methyl-isoxazole
(2S,4S,6S)-2-[2-(4-Hydroxy-3-meyhoxyphenyl)ethyl]tetrahydro-6-(4,5-dihydroxy-3-methoxyphenyl)-2H-pyran-4-ol
(+)-5-methoxylariciresinol
A lignan that is (+)-lariciresinol substituted by a methoxy group at position 5. It has been isolated from the stems of Sinocalamus affinis.
Emraclidine
Emraclidine (CVL-231) is a muscarinic M4 receptor positive allosteric modulator (WO2018002760, compound 11). Emraclidine can be used for the research of neurological diseases[1].
(1r,2r,5r,6r,7s,8s)-2,8-dihydroxy-1-methoxy-7-(7-methoxy-2h-1,3-benzodioxol-5-yl)-6-methyl-5-(prop-2-en-1-yl)bicyclo[3.2.1]octan-3-one
(3as,4r,5s,9s,9as,9bs)-5-(acetyloxy)-9-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-4-yl 2-methylpropanoate
(1s,2r,5s,6r,9r,10r)-8-formyl-6,10-dihydroxy-4,4-dimethyl-12-oxo-11-oxatetracyclo[7.3.1.0¹,⁹.0²,⁶]tridec-7-en-5-yl (2z)-hex-2-enoate
8-(acetyloxy)-2-(hexa-2,4-diyn-1-ylidene)-4-hydroxy-1,6-dioxaspiro[4.5]decan-3-yl 3-methylbutanoate
14-methoxy-3-methyl-9-methylidene-8-oxo-4,7,15-trioxatetracyclo[11.2.1.0³,⁵.0⁶,¹⁰]hexadec-13(16)-en-11-yl 2-methylbut-2-enoate
(1s,2r,4r,6s,8r,9z,11s)-8-(acetyloxy)-4,9-dimethyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.0⁴,⁶]tetradec-9-en-2-yl 2-methylprop-2-enoate
2-(hydroxymethyl)-1-methoxy-11-methyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradeca-2,12-dien-9-yl 2-methylbut-2-enoate
4-{hydroxy[(3s,4s)-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-3-yl]methyl}-2,6-dimethoxyphenol
methyl 11-hydroxy-4-[(2-methylbut-2-enoyl)oxy]-3,10-dimethylidene-2-oxo-3ah,4h,5h,8h,9h,11h,11ah-cyclodeca[b]furan-6-carboxylate
(3ar,4r,9r,11ar)-9-(acetyloxy)-6,10-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl (2z)-2-hydroxybut-2-enoate
[(1r,3s,7r,9r)-1-[(acetyloxy)methyl]-6-methylidene-5-oxo-4,12-dioxatricyclo[7.5.0.0³,⁷]tetradeca-10,13-dien-10-yl]methyl 2-methylpropanoate
(2e,4e)-5-[(1r,7s,8r,9r)-7-hydroxy-4-(methoxycarbonyl)-9-methyl-11-oxo-10-oxatricyclo[6.3.2.0¹,⁷]tridec-3-en-9-yl]-2-methylpenta-2,4-dienoic acid
8-hydroxy-4'-methyl-6,9-dimethylidene-2-oxo-octahydrospiro[azuleno[4,5-b]furan-3,2'-oxetan]-4-yl 2-(hydroxymethyl)prop-2-enoate
(3ar,4r,11ar)-10-[(acetyloxy)methyl]-6-formyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl 2-methylpropanoate
(2s,3r,4s,5s,6r)-2-[3-hydroxy-2-methyl-5-(2-phenylethyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
(2z,5z,9e)-2-[2-(2,5-dihydroxyphenyl)-2-oxoethylidene]-11-hydroxy-6-(hydroxymethyl)-10-methylundeca-5,9-dienoic acid
methyl (2s,4ar,6ar,10ar,10br)-2-[(5s)-5-hydroxy-2-oxo-5h-furan-3-yl]-6a,10b-dimethyl-4-oxo-1h,2h,4ah,5h,6h,9h,10h,10ah-naphtho[2,1-c]pyran-7-carboxylate
(3s,4s)-3-hydroxy-4-methoxy-4-(7-methoxy-2-oxochromen-8-yl)-2-methylidenebutyl 3-methylbutanoate
(1r)-1-(5,7-dimethoxy-2-oxochromen-8-yl)-3-methyl-2-oxobutyl 3-methylbutanoate
10-[(acetyloxy)methyl]-6-formyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl 2-methylpropanoate
(4ar,5s,6r,6as,11as,11br)-4a,6-dihydroxy-4,4,11b-trimethyl-1,7-dioxo-2h,3h,5h,6h,6ah,11h,11ah-phenanthro[3,2-b]furan-5-yl acetate
[5,8-dihydroxy-7-(2-hydroxypropyl)-1,4a-dimethyl-6,10-dioxo-2,3,4,10a-tetrahydrophenanthren-1-yl]methyl formate
(1e,3z,4s,6e)-1-(acetyloxy)-3-[(acetyloxy)methylidene]-9-[(2r)-3,3-dimethyloxiran-2-yl]-7-methylnona-1,6-dien-8-yn-4-yl acetate
6-({9b-hydroxy-6,6,9a-trimethyl-1-oxo-3h,5h,5ah,7h,8h,9h-naphtho[1,2-c]furan-5-yl}oxy)-6-oxohexa-2,4-dienoic acid
(7r,8r)-5-chloro-3-[(1e,3e,5s)-3,5-dimethylhepta-1,3-dien-1-yl]-7-hydroxy-7-methyl-8-(2-oxopropyl)-8h-isochromen-6-one
(3as,4r,5s,9r,9as,9bs)-5-(acetyloxy)-9-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-4-yl 2-methylpropanoate
[(3ar,7s,11as)-7-(acetyloxy)-10-formyl-3-methylidene-2-oxo-3ah,4h,7h,8h,11h,11ah-cyclodeca[b]furan-6-yl]methyl 2-methylpropanoate
methyl 6-(3-hydroxy-4,4-dimethyl-2,3-dihydro-1,5-benzodioxepin-7-yl)-2-(methoxymethylidene)-3-methyl-4-oxohex-5-enoate
1-beta-glucogeniposide
{"Ingredient_id": "HBIN002397","Ingredient_name": "1-beta-glucogeniposide","Alias": "NA","Ingredient_formula": "C17H26O10","Ingredient_Smile": "COC(=O)C1COC(C2C1CC=C2CO)OC3C(C(C(C(O3)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "25699","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(1'r,2'r)-4-o-methylguaiacyl glycerol 3'-o-β-d-glucopyranoside
{"Ingredient_id": "HBIN003046","Ingredient_name": "(1'r,2'r)-4-o-methylguaiacyl glycerol 3'-o-\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C17H26O10","Ingredient_Smile": "COC1=C(C=C(C=C1)C(C(COC2C(C(C(C(O2)CO)O)O)O)O)O)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14468","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
[(1S,4aR,5S,7S,7aS)-5-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7-yl] ethanoate
{"Ingredient_id": "HBIN003257","Ingredient_name": "[(1S,4aR,5S,7S,7aS)-5-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7-yl] ethanoate","Alias": "[(1S,4aR,5S,7S,7aS)-5-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7-yl] acetate; acetic acid [(1S,4aR,5S,7S,7aS)-5-hydroxy-7-methyl-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7-yl] ester; [(1S,4aR,5S,7S,7aS)-5-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7-yl] acetate; acetic acid [(1S,4aR,5S,7S,7aS)-5-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7-yl] ester","Ingredient_formula": "C17H26O10","Ingredient_Smile": "NA","Ingredient_weight": "390.38","OB_score": "6.594198254","CAS_id": "52916-96-8","SymMap_id": "SMIT10213","TCMID_id": "NA","TCMSP_id": "MOL009020","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-[2-(3,4-dihydroxyphenyl)ethyl]tetrahydro-6-(3,4,5-trihydroxyphenyl)-2h-pyran-4-ol; (2s,4s,6s)-form,3',3''-di-me ether
{"Ingredient_id": "HBIN003642","Ingredient_name": "2-[2-(3,4-dihydroxyphenyl)ethyl]tetrahydro-6-(3,4,5-trihydroxyphenyl)-2h-pyran-4-ol; (2s,4s,6s)-form,3',3''-di-me ether","Alias": "NA","Ingredient_formula": "C21H26O7","Ingredient_Smile": "NA","Ingredient_weight": "390.43","OB_score": "NA","CAS_id": "182369-54-6","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8792","PubChem_id": "NA","DrugBank_id": "NA"}
3,4-Dihydroverbenalin
{"Ingredient_id": "HBIN007370","Ingredient_name": "3,4-Dihydroverbenalin","Alias": "2-[7-methyl-5-oxo-1-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,4a,6,7,7a-hexahydro-1H-cyclopenta[c]pyran-4-yl]acetic acid; 3,4-dihydroverbenalin; AC1NSULZ","Ingredient_formula": "C17H26O10","Ingredient_Smile": "CC1CC(=O)C2C1C(OCC2CC(=O)O)OC3C(C(C(C(O3)CO)O)O)O","Ingredient_weight": "390.43","OB_score": "10.81682989","CAS_id": "NA","SymMap_id": "SMIT01197","TCMID_id": "5734","TCMSP_id": "MOL008758","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(?)-5'-methoxyisolariciresinol
{"Ingredient_id": "HBIN011760","Ingredient_name": "(?)-5'-methoxyisolariciresinol","Alias": "NA","Ingredient_formula": "C21H26O7","Ingredient_Smile": "COC1=CC(=CC(=C1O)OC)CC2COC(C2CO)C3=CC(=C(C=C3)O)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13969","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5'-methoxylariciresinol
{"Ingredient_id": "HBIN011764","Ingredient_name": "5'-methoxylariciresinol","Alias": "NA","Ingredient_formula": "C21H26O7","Ingredient_Smile": "COC1=CC(=CC(=C1O)OC)C2C(C(CO2)CC3=CC(=C(C=C3)O)OC)CO","Ingredient_weight": "390.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13979","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "44559567","DrugBank_id": "NA"}
5-methoxy-trans-dihydrodehydrodiconiferylalcohol
{"Ingredient_id": "HBIN011778","Ingredient_name": "5-methoxy-trans-dihydrodehydrodiconiferylalcohol","Alias": "NA","Ingredient_formula": "C21H26O7","Ingredient_Smile": "COC1=CC(=CC2=C1OC(C2CO)C3=CC(=C(C(=C3)OC)O)OC)CCCO","Ingredient_weight": "390.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13900","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "56838440","DrugBank_id": "NA"}
6,7-dimethoxy-coumarin-8-hydroxy
{"Ingredient_id": "HBIN012081","Ingredient_name": "6,7-dimethoxy-coumarin-8-hydroxy","Alias": "NA","Ingredient_formula": "C21H26O7","Ingredient_Smile": "CC(C1C(O1)C=C(C)C)C(COC2=C(C=C3C=CC(=O)OC3=C2OC)OC)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41945","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-o-acetylajugol
{"Ingredient_id": "HBIN012592","Ingredient_name": "6-o-acetylajugol","Alias": "NA","Ingredient_formula": "C17H26O10","Ingredient_Smile": "CC(=O)OC1CC(C2C1C=COC2OC3C(C(C(C(O3)CO)O)O)O)(C)O","Ingredient_weight": "390.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "308","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "10596537","DrugBank_id": "NA"}
7-epi-Loganin
{"Ingredient_id": "HBIN013178","Ingredient_name": "7-epi-Loganin","Alias": "7-epi-loganin","Ingredient_formula": "C17H26O10","Ingredient_Smile": "CC1C(CC2C1C(OC=C2C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O)O","Ingredient_weight": "390.4 g/mol","OB_score": "4.777690361","CAS_id": "NA","SymMap_id": "SMIT05233","TCMID_id": "28116","TCMSP_id": "MOL003099","TCM_ID_id": "NA","PubChem_id": "71676045","DrugBank_id": "NA"}
(?)-8-methoxyisolariciresinol
{"Ingredient_id": "HBIN013815","Ingredient_name": "(?)-8-methoxyisolariciresinol","Alias": "NA","Ingredient_formula": "C21H26O7","Ingredient_Smile": "COC1=C(C(=C2C(C(C(CC2=C1)CO)CO)C3=CC(=C(C=C3)O)OC)OC)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13968","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
altissimacouniarin G
{"Ingredient_id": "HBIN015783","Ingredient_name": "altissimacouniarin G","Alias": "NA","Ingredient_formula": "C21H26O7","Ingredient_Smile": "CC(=CC1CC(C(O1)COC2=C(C=C3C=CC(=O)OC3=C2OC)OC)(C)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "34516","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}