Exact Mass: 470.2569
Exact Mass Matches: 470.2569
Found 500 metabolites which its exact mass value is equals to given mass value 470.2569
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Withaferin_A
Withaferin A is a withanolide that is 5,6:22,26-diepoxyergosta-2,24-diene-1,26-dione substituted by hydroxy groups at positions 4 and 27 (the 4beta,5beta,6beta,22R stereoisomer). Isolated from Physalis longifolia, it exhibits cytotoxic activity. It has a role as an antineoplastic agent and an apoptosis inducer. It is a delta-lactone, a 4-hydroxy steroid, an enone, an ergostanoid, a secondary alcohol, a withanolide, a 27-hydroxy steroid, a primary alcohol and an epoxy steroid. Ashwagandha is a popular Ayurvedic herb used as a general tonic, to increase energy and reduce stress. Ashwagandha has not been implicated in causing serum enzyme elevations during therapy, but recently has been implicated in rare cases of clinically apparent liver injury. Withaferin A is a natural product found in Vassobia breviflora, Withania somnifera, and other organisms with data available. A withanolide that is 5,6:22,26-diepoxyergosta-2,24-diene-1,26-dione substituted by hydroxy groups at positions 4 and 27 (the 4beta,5beta,6beta,22R stereoisomer). Isolated from Physalis longifolia, it exhibits cytotoxic activity. Withaferin A is a steroidal lactone isolated from Withania somnifera, inhibits NF-kB activation and targets vimentin, with potent antiinflammatory and anticancer activities. Withaferin A is an inhibitor of endothelial protein C receptor (EPCR) shedding. Withaferin A is a steroidal lactone isolated from Withania somnifera, inhibits NF-kB activation and targets vimentin, with potent antiinflammatory and anticancer activities. Withaferin A is an inhibitor of endothelial protein C receptor (EPCR) shedding.
Withanolide
Withanolides, which are extracted from Withania somnifera, are employed in the treatment of arthritis and are known to be potent inhibitors of angiogenesis, inflammation and oxidative stress. Withanolides can indeed inhibit the activation of NF-κB and NF-κB-regulated gene expression, which could explain their anti-arthritic actions. W. somnifera root powder has suppressive effect on arthritis by reducing amplification and propagation of the inflammatory response, without causing any gastric damage. (PMID: 17475558, 3248848, 17084827).
Withanolide A
Withanolide A is found in herbs and spices. Withanolide A is isolated from Lycium chinense (Chinese boxthorn Isolated from Lycium chinense (Chinese boxthorn). Withanolide A is found in tea and herbs and spices.
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol is found in fruits. (R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol is a constituent of calabash tree (Crescentia cujete) fruits. Constituent of calabash tree (Crescentia cujete) fruits. (R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol is found in fruits.
Methyl lucidenate F
Methyl lucidenate F is found in mushrooms. Methyl lucidenate F is a constituent of Ganoderma lucidum (reishi).
Bazedoxifene
G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03X - Other sex hormones and modulators of the genital system > G03XC - Selective estrogen receptor modulators D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D020847 - Estrogen Receptor Modulators C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1821 - Selective Estrogen Receptor Modulator C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist D050071 - Bone Density Conservation Agents C1892 - Chemopreventive Agent
(2S)-2-Hexylsulfanyl-N-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]decanamide
Desisobutyrylciclesonide
N-Methoxysuccinyl-Ala-Ala-Pro-Val
Withaferin A
CID 92044470
Ingenol-5,20-acetonide-3-O-angelate is a natural compound.
5,7alpha-epoxy-6alpha,20alpha-dihydroxy-1-oxowitha-2,24-dienolide
(4beta,17alphaOH,22R)-4,17,27-Trihydroxy1-oxowitha-2,5,24-trienolide
5alpha,14alpha,20alphaF(R)-trihydroxy-1-oxowitha-2,7,24-trienolide|withasomniferol C
(17R,20S,22R)-5beta,6beta-epoxy-4beta,18-dihydroxy-1-oxowitha-2,24-dienolide|18-deacetylwithacnistine
(17R)-14,17,20-trihydroxy-22,26-epoxyergosta-2,5,24-triene-1,26-dione|Withanolide J
(17R,20S,22R)-5beta,6beta-epoxy-4beta,16alpha-dihydroxy-1-oxowitha-2,24-dienolide|16-deacetyliochromolide
Baimantuoluoside C
12-deoxywithastramonolide is a withanolide. 12-Deoxywithastramonolide is a natural product found in Withania somnifera and Datura metel with data available. 12-Deoxywithastramonolide is a principle bioactive compound found in ashwagandha (W. somnifera). 12-Deoxywithastramonolide possesses antioxidant and enzyme inhibitory effects[1]. 12-Deoxywithastramonolide is a principle bioactive compound found in ashwagandha (W. somnifera). 12-Deoxywithastramonolide possesses antioxidant and enzyme inhibitory effects[1].
2beta-(angeloyloxy)-6alpha-(p-anisoyloxy)-4beta-hydroxydauc-8-ene|tunetanin A
17-acetoxy-1-acetyl-10,11-dimethoxy-4-methyl-3,4-seco-cur-19-en-3-one|Acetyl-tabascanin
(20R,22R)-14alpha,17alpha,19-trihydroxy-1-oxowitha-2,5,24-trien-22,26-olide|cinerolide
6alpha,7alpha-epoxy-5alpha-hydroxy-17alpha-[(1R,4R,5R,7R)-4-hydroxy-4,5-dimethyl-3-oxo-2-oxabicyclo[3.2.1]octan-7-yl]androst-2-en-1-one|mandragorolide A
2-(1-oxo-2-hydroxyethyl)-3-hydroxy-5-(3-methyl-2-butenyloxy)-6-(3-methyl-2-butenyl)-6(S)-(3,7-dimethyl-8-oxo-2E,6E-octadienyl)-2,4-cyclohexadien-1-one|coodeanone C
(14S,17R,20S,22R)-14,17,20,22-tetrahydroxy-1-oxoergosta-3,5,24-trien-26-oic acid 22,26-lactone|withacoagulin I
(20R,22R)-14,20alpha,27-trihydroxy-1-oxowitha-3,5,24-trienolide|1-oxo-14,20alphaF,27-trihydroxy-20R,22R-witha-3,5,24-trienolide|14alpha,20alphaF,27-trihydroxy-1-oxo-(22R)-witha-3,5,24-trienolide
Withanolide A
Withanolide A is a withanolide. withanolide A is a natural product found in Withania somnifera, Withania coagulans, and Discopodium penninervium with data available.
3beta,17beta-dihydroxy-14,20-epoxy-1-oxo-(22R)-witha-5,24-dienolide|3beta,17beta-dihydroxy-14,20-epoxy-1-oxo-22R-witha-5,24-dienolide|ajugin|coagulin R
17-hydroxy,27-deoxy-withaferin A|17-hydroxy-27-deoxy withaferin A|17-hydroxy-27-deoxywithaferin A|27-deoxy-17-hydroxywithaferin A
3beta,17beta,20-Trihydroxy-1-oxo-(20R,22R)-witha-5,14,24-trienolide
3-(4-O-acetyl-6-deoxy-beta-galactopyranosyloxy)-19-norpregna-1,3,5(10),20-tetrae-ne
4-desmethoxy-16-dehydrowithangulatin E|withangulatin F
Withanone
Annotation level-1 Withanone is a natural product found in Withania somnifera, Physalis philadelphica, and Discopodium penninervium with data available.
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(3-hydroxy-6-methylheptoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Withaferin A
Withaferin A is a steroidal lactone isolated from Withania somnifera, inhibits NF-kB activation and targets vimentin, with potent antiinflammatory and anticancer activities. Withaferin A is an inhibitor of endothelial protein C receptor (EPCR) shedding. Withaferin A is a steroidal lactone isolated from Withania somnifera, inhibits NF-kB activation and targets vimentin, with potent antiinflammatory and anticancer activities. Withaferin A is an inhibitor of endothelial protein C receptor (EPCR) shedding.
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(3-hydroxy-6-methylheptoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol [IIN-based on: CCMSLIB00000845039]
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(3-hydroxy-6-methylheptoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol [IIN-based: Match]
Ala Pro Gln Arg
Ala Pro Arg Gln
Ala Gln Pro Arg
Ala Gln Arg Pro
Ala Arg Pro Gln
Ala Arg Gln Pro
Glu Ile Ile Pro
Glu Ile Leu Pro
Glu Ile Pro Ile
Glu Ile Pro Leu
Glu Leu Ile Pro
Glu Leu Leu Pro
Glu Leu Pro Ile
Glu Leu Pro Leu
Glu Pro Ile Ile
Glu Pro Ile Leu
Glu Pro Leu Ile
Glu Pro Leu Leu
His Ile Thr Thr
His Leu Thr Thr
His Thr Ile Thr
His Thr Leu Thr
His Thr Thr Ile
His Thr Thr Leu
Ile Glu Ile Pro
Ile Glu Leu Pro
Ile Glu Pro Ile
Ile Glu Pro Leu
Ile His Thr Thr
Ile Ile Glu Pro
Ile Ile Pro Glu
Ile Leu Glu Pro
Ile Leu Pro Glu
Ile Asn Pro Gln
Ile Asn Gln Pro
Ile Pro Glu Ile
Ile Pro Glu Leu
Ile Pro Ile Glu
Ile Pro Leu Glu
Ile Pro Asn Gln
Ile Pro Gln Asn
Ile Gln Asn Pro
Ile Gln Pro Asn
Ile Thr His Thr
Ile Thr Thr His
Leu Glu Ile Pro
Leu Glu Leu Pro
Leu Glu Pro Ile
Leu Glu Pro Leu
Leu His Thr Thr
Leu Ile Glu Pro
Leu Ile Pro Glu
Leu Leu Glu Pro
Leu Leu Pro Glu
Leu Asn Pro Gln
Leu Asn Gln Pro
Leu Pro Glu Ile
Leu Pro Glu Leu
Leu Pro Ile Glu
Leu Pro Leu Glu
Leu Pro Asn Gln
Leu Pro Gln Asn
Leu Gln Asn Pro
Leu Gln Pro Asn
Leu Thr His Thr
Leu Thr Thr His
Asn Ile Pro Gln
Asn Ile Gln Pro
Asn Leu Pro Gln
Asn Leu Gln Pro
Asn Pro Ile Gln
Asn Pro Leu Gln
Asn Pro Gln Ile
Asn Pro Gln Leu
Asn Gln Ile Pro
Asn Gln Leu Pro
Asn Gln Pro Ile
Asn Gln Pro Leu
Pro Ala Gln Arg
Pro Ala Arg Gln
Pro Glu Ile Ile
Pro Glu Ile Leu
Pro Glu Leu Ile
Pro Glu Leu Leu
Pro Ile Glu Ile
Pro Ile Glu Leu
Pro Ile Ile Glu
Pro Ile Leu Glu
Pro Ile Asn Gln
Pro Ile Gln Asn
Pro Leu Glu Ile
Pro Leu Glu Leu
Pro Leu Ile Glu
Pro Leu Leu Glu
Pro Leu Asn Gln
Pro Leu Gln Asn
Pro Asn Ile Gln
Pro Asn Leu Gln
Pro Asn Gln Ile
Pro Asn Gln Leu
Pro Gln Ala Arg
Pro Gln Ile Asn
Pro Gln Leu Asn
Pro Gln Asn Ile
Pro Gln Asn Leu
Pro Gln Gln Val
Pro Gln Arg Ala
Pro Gln Val Gln
Pro Arg Ala Gln
Pro Arg Gln Ala
Pro Val Gln Gln
Gln Ala Pro Arg
Gln Ala Arg Pro
Gln Ile Asn Pro
Gln Ile Pro Asn
Gln Leu Asn Pro
Gln Leu Pro Asn
Gln Asn Ile Pro
Gln Asn Leu Pro
Gln Asn Pro Ile
Gln Asn Pro Leu
Gln Pro Ala Arg
Gln Pro Ile Asn
Gln Pro Leu Asn
Gln Pro Asn Ile
Gln Pro Asn Leu
Gln Pro Gln Val
Gln Pro Arg Ala
Gln Pro Val Gln
Gln Gln Pro Val
Gln Gln Val Pro
Gln Arg Ala Pro
Gln Arg Pro Ala
Gln Val Pro Gln
Gln Val Gln Pro
Arg Ala Pro Gln
Arg Ala Gln Pro
Arg Pro Ala Gln
Arg Pro Gln Ala
Arg Gln Ala Pro
Arg Gln Pro Ala
Thr His Ile Thr
Thr His Leu Thr
Thr His Thr Ile
Thr His Thr Leu
Thr Ile His Thr
Thr Ile Thr His
Thr Leu His Thr
Thr Leu Thr His
Thr Thr His Ile
Thr Thr His Leu
Thr Thr Ile His
Thr Thr Leu His
Val Pro Gln Gln
Val Gln Pro Gln
Val Gln Gln Pro
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol
Methyl lucidenate F
3-Hydroxy-6-methylheptyl 2-O-?-D-glucopyranosyl-?-D-glucopyranoside
1-(18-mercaptooctadecanoyl)-sn-glycerol 3-phosphate
A 1-acyl-sn-glycerol 3-phosphate having 18-mercaptooctadecanoyl as the 1-O-acyl group.
Withanolide
A withanolide that is 5,6:22,26-diepoxyergosta-2,24-diene-1,26-dione substituted by hydroxy groups at positions 4 and 22 (the 4beta,5beta,6beta,22R stereoisomer). Isolated from Tubocapsicum anomalum and Withania somnifera, it exhibits cytotoxic activity. Withanolides, which are extracted from Withania somnifera, are employed in the treatment of arthritis and are known to be potent inhibitors of angiogenesis, inflammation and oxidative stress. Withanolides can indeed inhibit the activation of NF-κB and NF-κB-regulated gene expression, which could explain their anti-arthritic actions. W. somnifera root powder has suppressive effect on arthritis by reducing amplification and propagation of the inflammatory response, without causing any gastric damage. (PMID: 17475558, 3248848, 17084827) [HMDB]
Withanolide
Withalongolide B
A withanolide that is 27-deoxywithaferin A substituted by a hydroxy group at position 19. Isolated from Physalis longifolia, it exhibits antineoplastic activity.
ETHYL 5-(4-(4-(5-CYANO-1H-INDOL-3-YL) BUTYL) PIPERAZIN-1-YL) BENZOFURAN-2- CARBOXYLATE
bis(2-methacryloxyethyl)-n,n-1,9-nonylene biscarbamate
1,1,3,3,3,3-hexamethylindodicarbocyanine tetrafluoroborate, borate(1-), tetrafluoro-, 2-[5-(1,3-dihydro-1,3,3-trimethyl-2h-indol-2-ylidene)-1,4-pentadienyl]-1,3,3-trimethyl-3h-indolium
Methyl [(2S)-3-methyl-1-oxo-1-{(2S)-2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-yl]-1-pyrrolidinyl}-2-butanyl]carbamate
TERT-BUTYL 3,5-BIS(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRROLO[2,3-B]PYRIDINE-1-CARBOXYLATE
Methanone, ((3S,4R)-4-(2,4-difluorophenyl)-1-(1,1-dimethylethyl)-3-pyrrolidinyl)((3R,5S)-4-hydroxy-3,5-dimethyl-4-phenyl-1-piperidinyl)-
Alfenta
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist D002491 - Central Nervous System Agents > D000700 - Analgesics
Bacilysocin
A carboxylic ester resulting from the formal condensation of the carboxylic acid group of 12-methyltetradecanoic acide with one of the primary alcoholic hydroxy groups of glycerophosphoglycerol. An antibiotic obtained from Bacillus subtilis 168, it has particular activity against certain fungi. The stereochemistries of the hydroxy groups at positions C-2 and C-2 and the methyl group at position C-12 have not been determined.
3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N,N-dimethyl-4-(pyrrolidin-1-yl)benzene-1-sulfonamide
4-{(4-anilinonaphthalen-1-yl)[4-(dimethylamino)phenyl]methylidene}-N,N-dimethylcyclohexa-2,5-dien-1-iminium
Bazedoxifene
G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03X - Other sex hormones and modulators of the genital system > G03XC - Selective estrogen receptor modulators D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D020847 - Estrogen Receptor Modulators C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1821 - Selective Estrogen Receptor Modulator C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist D050071 - Bone Density Conservation Agents C1892 - Chemopreventive Agent
[1-(Furan-3-yl)-8-hydroxy-4b,7,7,10a,12a-pentamethyl-3-oxo-1,5,6,6a,8,9,10,10b,11,12-decahydronaphtho[2,1-f]isochromen-5-yl] acetate
(2S)-2-Hexylsulfanyl-N-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]decanamide
(1S,2S,4S,5R,10R,14S,15S,18S)-15-[(1R)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxyethyl]-5-hydroxy-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-7-en-9-one
Tubocapsanolide F
A withanolide that is 5,6:22,26-diepoxyergosta-2,24-diene-1,26-dione substituted by hydroxy groups at positions 4 and 17 (the 4beta,5beta,6beta,22R stereoisomer). Isolated from Tubocapsicum anomalum, it exhibits cytotoxic activity.
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-2-(3-hydroxy-6-methylheptoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
3-(4-fluorophenyl)-1-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methylurea
3-(4-fluorophenyl)-1-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methylurea
3-(4-fluorophenyl)-1-[[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methylurea
3-(4-fluorophenyl)-1-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methylurea
3-(4-fluorophenyl)-1-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methylurea
3-(4-fluorophenyl)-1-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methylurea
3-(4-fluorophenyl)-1-[[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methylurea
3-(4-fluorophenyl)-1-[[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methylurea
1-(2-methoxyphenyl)-3-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(2-methoxyphenyl)-3-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(4-methoxyphenyl)-3-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(4-methoxyphenyl)-3-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(4-methoxyphenyl)-3-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(4-methoxyphenyl)-3-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(3-methoxyphenyl)-3-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(3-methoxyphenyl)-3-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(4-methoxyphenyl)-3-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(4-methoxyphenyl)-3-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
(2S,3S,3aR,9bR)-1-acetyl-N-[3-(dimethylamino)propyl]-7-(3-fluorophenyl)-3-(hydroxymethyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
(1S,5R)-7-[4-[4-[dimethylamino(oxo)methyl]phenyl]phenyl]-N-(2-methoxyphenyl)-3,6-diazabicyclo[3.1.1]heptane-3-carboxamide
(1R)-1-(hydroxymethyl)-7-methoxy-2-[4-oxanyl(oxo)methyl]-N-propan-2-yl-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]carboxamide
(1S)-N-cyclopentyl-1-(hydroxymethyl)-7-methoxy-1-(2-methoxy-1-oxoethyl)-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]carboxamide
1-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-methoxyphenyl)urea
1-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-methoxyphenyl)urea
1-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-methoxyphenyl)urea
1-(2-methoxyphenyl)-3-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(2-methoxyphenyl)-3-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(2-methoxyphenyl)-3-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(2-methoxyphenyl)-3-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(2-methoxyphenyl)-3-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(4-methoxyphenyl)-3-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(4-methoxyphenyl)-3-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(4-methoxyphenyl)-3-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(4-methoxyphenyl)-3-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(3-methoxyphenyl)-3-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(3-methoxyphenyl)-3-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(4-methoxyphenyl)-3-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(4-methoxyphenyl)-3-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(4-methoxyphenyl)-3-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(4-methoxyphenyl)-3-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
(2R,3R,3aS,9bS)-1-acetyl-N-[3-(dimethylamino)propyl]-7-(3-fluorophenyl)-3-(hydroxymethyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
(1S)-1-(hydroxymethyl)-7-methoxy-2-[4-oxanyl(oxo)methyl]-N-propan-2-yl-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]carboxamide
(1R)-N-cyclopentyl-1-(hydroxymethyl)-7-methoxy-1-(2-methoxy-1-oxoethyl)-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]carboxamide
(3aS,5aR,9bR)-5a,9-dimethyl-3-methylene-4,5,6,7,8,9b-hexahydro-3aH-benzo[g]benzofuran-2-one
(2S)-N-(1-methylpiperidin-2-yl)-2-(6-oxoheptyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanediamide
(2S,6S,7S,9R,11R,12R,15R,16R)-6-hydroxy-15-[1-[(2S)-5-(hydroxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one
(2S,6S,7S,9R,11R,15R,16R)-6-hydroxy-15-[1-[(2S)-5-(hydroxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one
[3-[2,3-Dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] pentadecanoate
[(2R)-1,1,2,3,3-pentadeuterio-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] pentadecanoate
[(2R)-1,1,3,3-tetradeuterio-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] pentadecanoate
(4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-7-oxo-3-sulfooxy-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
2-[2-[3-(1-Methylethylamino)-2-hydroxypropyloxy]ethyl]-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-6-carboxylic acid 3-pyridyl ester
BMS-986187
BMS-986187 is an δ-opioid receptor-selective positive allosteric modulator (PAM) with an EC50 of 0.03 μM and a pKB?of 6.02 (~1?μM). BMS-986187 has no observable PAM activity at the?μ-receptor (EC50=3 μM)[1].
(1s,2s,4s,5r,10r,11s,14r,15r,18s)-5-hydroxy-15-[(1s)-1-[(2r)-5-(hydroxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-10,14-dimethyl-3-oxapentacyclo[9.7.0.0²,⁴.0⁵,¹⁰.0¹⁴,¹⁸]octadec-7-en-9-one
3-hydroxy-3-isopropyl-6,8a-dimethyl-8-[(2-methylbut-2-enoyl)oxy]-1,2,3a,4,5,8-hexahydroazulen-4-yl 4-methoxybenzoate
(1r,2r,4s,6r,7r,10s,11r,15s,16r)-15-hydroxy-6-[(1s)-1-[(2r)-5-(hydroxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-7,11-dimethyl-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadec-13-en-12-one
15-[1-(4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-5,15-dihydroxy-10,14-dimethyl-3-oxapentacyclo[9.7.0.0²,⁴.0⁵,¹⁰.0¹⁴,¹⁸]octadec-7-en-9-one
15-{2-hydroxy-1-[5-(hydroxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl}-2,16-dimethyl-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadec-4-en-3-one
5-hydroxy-2,16-dimethyl-15-{1-methyl-8-methylidene-7-oxo-2,6-dioxabicyclo[3.3.1]nonan-4-yl}-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadecan-3-one
(6s)-6-[(1s)-1-[(1r,3ar,3br,9ar,9bs,11as)-1,3a-dihydroxy-9a,11a-dimethyl-9-oxo-2h,3h,3bh,4h,5h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-1-hydroxyethyl]-3,4-dimethyl-5,6-dihydropyran-2-one
(1s,2r,6s,7r,9r,11s,12s,14r,15r,16s)-15-[(1s)-1-[(2r)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-6,14-dihydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadec-4-en-3-one
(1r,2r,7r,10r,11s,14r,15r,16r)-16-(4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl)-7,15-dihydroxy-10,14,16-trimethyl-17-oxapentacyclo[13.2.2.0¹,¹⁴.0²,¹¹.0⁵,¹⁰]nonadec-4-en-9-one
(2s)-2-[(2r,3r,4s)-3-[(1e,3e,5e,7e,9e)-10-[(2r,5s,6s)-5-hydroxy-3,5,6-trimethyl-2,6-dihydropyran-2-yl]undeca-1,3,5,7,9-pentaen-1-yl]-3,4-dimethyl-5-oxooxolan-2-yl]propanoic acid
3,3',4'-trihydroxy-4,5,5,10',14',16'-hexamethyl-18'-oxaspiro[oxolane-2,17'-pentacyclo[13.3.2.0¹,¹⁴.0²,¹¹.0⁵,¹⁰]icosane]-2'(11'),5',12'-trien-7'-one
6-[(1r)-1-[(1s,3as,5as,9ar,9bs,11ar)-3a,5a-dihydroxy-9a,11a-dimethyl-9-oxo-1h,2h,3h,5h,6h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-1-hydroxyethyl]-3,4-dimethyl-5,6-dihydropyran-2-one
(6r)-6-[(1r)-1-[(1s,3ar,3br,6s,9ar,9bs,11ar)-3a,6-dihydroxy-9a,11a-dimethyl-9-oxo-1h,2h,3h,3bh,4h,6h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-1-hydroxyethyl]-3,4-dimethyl-5,6-dihydropyran-2-one
(1r,3as,4r,8s,8as)-1-hydroxy-1-isopropyl-3a,6-dimethyl-8-{[(2e)-2-methylbut-2-enoyl]oxy}-2,3,4,7,8,8a-hexahydroazulen-4-yl 4-methoxybenzoate
15-hydroxy-6-{1-[5-(hydroxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl}-7,11-dimethyl-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadec-13-en-12-one
2-{3-[10-(5-hydroxy-3,5,6-trimethyl-2,6-dihydropyran-2-yl)undeca-1,3,5,7,9-pentaen-1-yl]-3,4-dimethyl-5-oxooxolan-2-yl}propanoic acid
(1s,2r,7s,9r,11s,12s,15r,16s)-15-hydroxy-15-[(1r,4r,5r,7s)-4-hydroxy-4,5-dimethyl-3-oxo-2-oxabicyclo[3.2.1]octan-7-yl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadec-4-en-3-one
(1s,2r,7r,9s,11r,14s,15s)-14-hydroxy-15-[(1s)-1-[(1s,2r,4s,6s)-2-hydroxy-1,6-dimethyl-3,7-dioxabicyclo[4.1.0]heptan-4-yl]ethyl]-2,15-dimethyl-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadeca-4,12(16)-dien-3-one
(20s,22r)-5α,27-dihydroxy-6α,7α-epoxy-1-oxo-witha-2,24-dienolide
{"Ingredient_id": "HBIN003477","Ingredient_name": "(20s,22r)-5\u03b1,27-dihydroxy-6\u03b1,7\u03b1-epoxy-1-oxo-witha-2,24-dienolide","Alias": "NA","Ingredient_formula": "C28H38O6","Ingredient_Smile": "CC1=C(C(=O)OC(C1)C(C)C2CCC3C2(C(CC4C3C5C(O5)C6(C4(C(=O)C=CC6)C)O)O)C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5879","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6α,7α-epoxy-5α,20β-dihydroxy-1-oxowitha-2,24-dienolide
{"Ingredient_id": "HBIN012189","Ingredient_name": "6\u03b1,7\u03b1-epoxy-5\u03b1,20\u03b2-dihydroxy-1-oxowitha-2,24-dienolide","Alias": "NA","Ingredient_formula": "C28H38O6","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "7081","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
ajugin
{"Ingredient_id": "HBIN014987","Ingredient_name": "ajugin","Alias": "NA","Ingredient_formula": "C28H38O6","Ingredient_Smile": "CC1=C(C(=O)OC(C1)C2(C3(CCC4(C3(CCC5C4CC=C6C5(C(=O)CC(C6)O)C)C)O2)O)C)C","Ingredient_weight": "470.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "812","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "100982555","DrugBank_id": "NA"}