Exact Mass: 470.2433274
Exact Mass Matches: 470.2433274
Found 500 metabolites which its exact mass value is equals to given mass value 470.2433274
,
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.
Lucidenic acid D1
Lucidenic acid D1 is found in mushrooms. Lucidenic acid D1 is a constituent of Ganoderma lucidum (reishi).
(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
Leoligin
N-Methoxysuccinyl-Ala-Ala-Pro-Val
Withaferin A
CID 92044470
Ingenol-5,20-acetonide-3-O-angelate is a natural compound.
Neokurarinol
Neokurarinol is a natural product found in Sophora flavescens with data available.
3,7,11,12,15-Pentaoxo-25,26,27-trinorlanost-8-en-24-oic acid
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
{(2S,3R,4R)-2-(3,4-dimethoxyphenyl)-4-[(3,4-dimethoxyphenyl)methyl]tetrahydrofuran-3-yl}methyl (2E)-2-methylbut-2-enoate
(17R)-14,17,20-trihydroxy-22,26-epoxyergosta-2,5,24-triene-1,26-dione|Withanolide J
17-acetoxy-1-acetyl-10,11-dimethoxy-4-methyl-3,4-seco-cur-19-en-3-one|Acetyl-tabascanin
17-benzoyloxy-ajmal-19-ene-16-carboxylic acid methyl ester|O-Benzoyl-vincamajin
3-[3-acetyl-5-(3,7-dimethyl-2,6-octadienyl)-2,4,6-trihydroxybenzyl]-6-ethyl-4-hydroxy-5-methyl-2h-pyran-2-one
(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
C27H34O7_Methyl [(1S,3S,7R,8R,9R,12S,13S)-13-(3-furyl)-6,6,8,12-tetramethyl-17-methylene-5,15-dioxo-2,14-dioxatetracyclo[7.7.1.0~1,12~.0~3,8~]heptadec-7-yl]acetate
(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 Phe His Pro
Ala Phe Pro His
Ala His Phe Pro
Ala His Ile Met
C20H34N6O5S (470.23112740000005)
Ala His Leu Met
C20H34N6O5S (470.23112740000005)
Ala His Met Ile
C20H34N6O5S (470.23112740000005)
Ala His Met Leu
C20H34N6O5S (470.23112740000005)
Ala His Pro Phe
Ala Ile His Met
C20H34N6O5S (470.23112740000005)
Ala Ile Met His
C20H34N6O5S (470.23112740000005)
Ala Leu His Met
C20H34N6O5S (470.23112740000005)
Ala Leu Met His
C20H34N6O5S (470.23112740000005)
Ala Met His Ile
C20H34N6O5S (470.23112740000005)
Ala Met His Leu
C20H34N6O5S (470.23112740000005)
Ala Met Ile His
C20H34N6O5S (470.23112740000005)
Ala Met Leu His
C20H34N6O5S (470.23112740000005)
Ala Pro Phe His
Ala Pro His Phe
Ala Pro Gln Arg
Ala Pro Arg Gln
Ala Gln Pro Arg
Ala Gln Arg Pro
Ala Arg Pro Gln
Ala Arg Gln Pro
Cys His Ile Val
C20H34N6O5S (470.23112740000005)
Cys His Leu Val
C20H34N6O5S (470.23112740000005)
Cys His Val Ile
C20H34N6O5S (470.23112740000005)
Cys His Val Leu
C20H34N6O5S (470.23112740000005)
Cys Ile His Val
C20H34N6O5S (470.23112740000005)
Cys Ile Val His
C20H34N6O5S (470.23112740000005)
Cys Leu His Val
C20H34N6O5S (470.23112740000005)
Cys Leu Val His
C20H34N6O5S (470.23112740000005)
Cys Val His Ile
C20H34N6O5S (470.23112740000005)
Cys Val His Leu
C20H34N6O5S (470.23112740000005)
Cys Val Ile His
C20H34N6O5S (470.23112740000005)
Cys Val Leu His
C20H34N6O5S (470.23112740000005)
Phe Ala His Pro
Phe Ala Pro His
Phe His Ala Pro
Phe His Pro Ala
Phe Pro Ala His
Phe Pro His Ala
His Ala Phe Pro
His Ala Ile Met
C20H34N6O5S (470.23112740000005)
His Ala Leu Met
C20H34N6O5S (470.23112740000005)
His Ala Met Ile
C20H34N6O5S (470.23112740000005)
His Ala Met Leu
C20H34N6O5S (470.23112740000005)
His Ala Pro Phe
His Cys Ile Val
C20H34N6O5S (470.23112740000005)
His Cys Leu Val
C20H34N6O5S (470.23112740000005)
His Cys Val Ile
C20H34N6O5S (470.23112740000005)
His Cys Val Leu
C20H34N6O5S (470.23112740000005)
His Phe Ala Pro
His Phe Pro Ala
His Ile Ala Met
C20H34N6O5S (470.23112740000005)
His Ile Cys Val
C20H34N6O5S (470.23112740000005)
His Ile Met Ala
C20H34N6O5S (470.23112740000005)
His Ile Thr Thr
His Ile Val Cys
C20H34N6O5S (470.23112740000005)
His Leu Ala Met
C20H34N6O5S (470.23112740000005)
His Leu Cys Val
C20H34N6O5S (470.23112740000005)
His Leu Met Ala
C20H34N6O5S (470.23112740000005)
His Leu Thr Thr
His Leu Val Cys
C20H34N6O5S (470.23112740000005)
His Met Ala Ile
C20H34N6O5S (470.23112740000005)
His Met Ala Leu
C20H34N6O5S (470.23112740000005)
His Met Ile Ala
C20H34N6O5S (470.23112740000005)
His Met Leu Ala
C20H34N6O5S (470.23112740000005)
His Pro Ala Phe
His Pro Phe Ala
His Thr Ile Thr
His Thr Leu Thr
His Thr Thr Ile
His Thr Thr Leu
His Val Cys Ile
C20H34N6O5S (470.23112740000005)
His Val Cys Leu
C20H34N6O5S (470.23112740000005)
His Val Ile Cys
C20H34N6O5S (470.23112740000005)
His Val Leu Cys
C20H34N6O5S (470.23112740000005)
Ile Ala His Met
C20H34N6O5S (470.23112740000005)
Ile Ala Met His
C20H34N6O5S (470.23112740000005)
Ile Cys His Val
C20H34N6O5S (470.23112740000005)
Ile Cys Val His
C20H34N6O5S (470.23112740000005)
Ile His Ala Met
C20H34N6O5S (470.23112740000005)
Ile His Cys Val
C20H34N6O5S (470.23112740000005)
Ile His Met Ala
C20H34N6O5S (470.23112740000005)
Ile His Thr Thr
Ile His Val Cys
C20H34N6O5S (470.23112740000005)
Ile Met Ala His
C20H34N6O5S (470.23112740000005)
Ile Met His Ala
C20H34N6O5S (470.23112740000005)
Ile Asn Pro Gln
Ile Asn Gln Pro
Ile Pro Asn Gln
Ile Pro Gln Asn
Ile Gln Asn Pro
Ile Gln Pro Asn
Ile Thr His Thr
Ile Thr Thr His
Ile Val Cys His
C20H34N6O5S (470.23112740000005)
Ile Val His Cys
C20H34N6O5S (470.23112740000005)
Leu Ala His Met
C20H34N6O5S (470.23112740000005)
Leu Ala Met His
C20H34N6O5S (470.23112740000005)
Leu Cys His Val
C20H34N6O5S (470.23112740000005)
Leu Cys Val His
C20H34N6O5S (470.23112740000005)
Leu His Ala Met
C20H34N6O5S (470.23112740000005)
Leu His Cys Val
C20H34N6O5S (470.23112740000005)
Leu His Met Ala
C20H34N6O5S (470.23112740000005)
Leu His Thr Thr
Leu His Val Cys
C20H34N6O5S (470.23112740000005)
Leu Met Ala His
C20H34N6O5S (470.23112740000005)
Leu Met His Ala
C20H34N6O5S (470.23112740000005)
Leu Asn Pro Gln
Leu Asn Gln Pro
Leu Pro Asn Gln
Leu Pro Gln Asn
Leu Gln Asn Pro
Leu Gln Pro Asn
Leu Thr His Thr
Leu Thr Thr His
Leu Val Cys His
C20H34N6O5S (470.23112740000005)
Leu Val His Cys
C20H34N6O5S (470.23112740000005)
Met Ala His Ile
C20H34N6O5S (470.23112740000005)
Met Ala His Leu
C20H34N6O5S (470.23112740000005)
Met Ala Ile His
C20H34N6O5S (470.23112740000005)
Met Ala Leu His
C20H34N6O5S (470.23112740000005)
Met His Ala Ile
C20H34N6O5S (470.23112740000005)
Met His Ala Leu
C20H34N6O5S (470.23112740000005)
Met His Ile Ala
C20H34N6O5S (470.23112740000005)
Met His Leu Ala
C20H34N6O5S (470.23112740000005)
Met Ile Ala His
C20H34N6O5S (470.23112740000005)
Met Ile His Ala
C20H34N6O5S (470.23112740000005)
Met Leu Ala His
C20H34N6O5S (470.23112740000005)
Met Leu His Ala
C20H34N6O5S (470.23112740000005)
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 Phe His
Pro Ala His Phe
Pro Ala Gln Arg
Pro Ala Arg Gln
Pro Phe Ala His
Pro Phe His Ala
Pro His Ala Phe
Pro His Phe Ala
Pro Ile Asn Gln
Pro Ile Gln Asn
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 Cys His Ile
C20H34N6O5S (470.23112740000005)
Val Cys His Leu
C20H34N6O5S (470.23112740000005)
Val Cys Ile His
C20H34N6O5S (470.23112740000005)
Val Cys Leu His
C20H34N6O5S (470.23112740000005)
Val His Cys Ile
C20H34N6O5S (470.23112740000005)
Val His Cys Leu
C20H34N6O5S (470.23112740000005)
Val His Ile Cys
C20H34N6O5S (470.23112740000005)
Val His Leu Cys
C20H34N6O5S (470.23112740000005)
Val Ile Cys His
C20H34N6O5S (470.23112740000005)
Val Ile His Cys
C20H34N6O5S (470.23112740000005)
Val Leu Cys His
C20H34N6O5S (470.23112740000005)
Val Leu His Cys
C20H34N6O5S (470.23112740000005)
Val Pro Gln Gln
Val Gln Pro Gln
Val Gln Gln Pro
methyl ester
C25H33F3O5 (470.22799640000005)
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol
Lucidenic acid D1
3-Hydroxy-6-methylheptyl 2-O-?-D-glucopyranosyl-?-D-glucopyranoside
1-(18-mercaptooctadecanoyl)-sn-glycerol 3-phosphate
C21H43O7PS (470.24669780000005)
A 1-acyl-sn-glycerol 3-phosphate having 18-mercaptooctadecanoyl as the 1-O-acyl group.
4-tert-butylphenol,2-(chloromethyl)oxirane,4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
C28H35ClO4 (470.22237400000006)
ETHYL 5-(4-(4-(5-CYANO-1H-INDOL-3-YL) BUTYL) PIPERAZIN-1-YL) BENZOFURAN-2- CARBOXYLATE
C28H30N4O3 (470.23177899999996)
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
C27H31BF4N2 (470.25162839999996)
Alfenta
C21H35ClN6O4 (470.24081800000005)
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
C25H34N4O3S (470.23514940000007)
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-(18-Mercaptooctadecanoyl)glycerol 3-phosphate
C21H43O7PS (470.24669780000005)
(2S)-2-Hexylsulfanyl-N-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]decanamide
[2-(3,4-dimethoxyphenyl)-4-[(3,4-dimethoxyphenyl)methyl]oxolan-3-yl]methyl (E)-2-methylbut-2-enoate
1-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea
C21H34N4O6S (470.21989440000004)
1-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-propan-2-ylurea
C21H34N4O6S (470.21989440000004)
(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-[[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-8-(methanesulfonamido)-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea
C21H34N4O6S (470.21989440000004)
1-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea
C21H34N4O6S (470.21989440000004)
1-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea
C21H34N4O6S (470.21989440000004)
1-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea
C21H34N4O6S (470.21989440000004)
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
C28H30N4O3 (470.23177899999996)
(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-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea
C21H34N4O6S (470.21989440000004)
1-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea
C21H34N4O6S (470.21989440000004)
1-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-8-(methanesulfonamido)-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea
C21H34N4O6S (470.21989440000004)
1-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea
C21H34N4O6S (470.21989440000004)
1-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea
C21H34N4O6S (470.21989440000004)
1-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-propan-2-ylurea
C21H34N4O6S (470.21989440000004)
1-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-propan-2-ylurea
C21H34N4O6S (470.21989440000004)
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-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-propan-2-ylurea
C21H34N4O6S (470.21989440000004)
(2R)-2-[(4S,5S)-4-methyl-5-[[methyl(propyl)amino]methyl]-1,1-dioxo-8-(2-phenylethynyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
C26H34N2O4S (470.22391640000006)
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
(2S)-N-(1-methylpiperidin-2-yl)-2-(6-oxoheptyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanediamide
C25H34N4O3S (470.23514940000007)
[1-Acetyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] dodecanoate
C20H39O10P (470.22807240000003)
[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
[1-[(2-Heptanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] heptanoate
C20H39O10P (470.22807240000003)
[1-Hydroxy-3-[hydroxy-(3-hydroxy-2-pentanoyloxypropoxy)phosphoryl]oxypropan-2-yl] nonanoate
C20H39O10P (470.22807240000003)
[1-[(2-Hexanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] octanoate
C20H39O10P (470.22807240000003)
[1-[(2-Butanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] decanoate
C20H39O10P (470.22807240000003)
[1-[(2-Acetyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] dodecanoate
C20H39O10P (470.22807240000003)
[1-Hydroxy-3-[hydroxy-(3-hydroxy-2-propanoyloxypropoxy)phosphoryl]oxypropan-2-yl] undecanoate
C20H39O10P (470.22807240000003)
[1-[2,3-Dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-hexanoyloxypropan-2-yl] octanoate
C20H39O10P (470.22807240000003)
[1-[2,3-Dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-pentanoyloxypropan-2-yl] nonanoate
C20H39O10P (470.22807240000003)
[3-[2,3-Dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-heptanoyloxypropyl] heptanoate
C20H39O10P (470.22807240000003)
[1-[2,3-Dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-propanoyloxypropan-2-yl] undecanoate
C20H39O10P (470.22807240000003)
[1-Butanoyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] decanoate
C20H39O10P (470.22807240000003)
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
methyl 2-[6-(furan-3-yl)-14-hydroxy-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.0²,¹¹.0⁵,¹⁰]heptadec-10-en-16-yl]acetate
methyl 2-[(1s,2s,5s,6s,13r,14r,16s)-6-(furan-3-yl)-14-hydroxy-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.0²,¹¹.0⁵,¹⁰]heptadec-10-en-16-yl]acetate
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
6,9-dihydroxy-7-methyl-4-{[7-(3-methylbut-2-en-1-yl)-1h-indol-3-yl]methyl}-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-3-one
C28H30N4O3 (470.23177899999996)
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
4-{3a,6,6,9a,11a-pentamethyl-3,4,7,10,11-pentaoxo-1h,2h,5h,5ah,8h,9h-cyclopenta[a]phenanthren-1-yl}pentanoic acid
(4r)-4-[(1r,3ar,5ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-2,4,7,10,11-pentaoxo-1h,3h,5h,5ah,8h,9h-cyclopenta[a]phenanthren-1-yl]pentanoic acid
(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,6s,14r,15s,17r,20r,22s)-20-acetyl-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
(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
methyl 2-[(1r,6r)-6-[(1s,3s,6s,7s,10s)-6-(furan-3-yl)-7-methyl-11-methylidene-4-oxo-2,5-dioxatricyclo[5.4.0.0¹,³]undecan-10-yl]-2,2,6-trimethyl-3-oxocyclohexyl]acetate
7a,9,11b-trihydroxy-3-(4-methoxyphenyl)-5a,8,8,11a-tetramethyl-6,7,9,10,11,12-hexahydro-2,5-dioxatetraphen-1-one
[(2s,3r,4r)-4-(3,4-dimethoxybenzyl)-2-(3,4-dimethoxyphenyl)-tetrahydrofuran-3-yl]-methyl(2z)-2-methylbut-2-en-oate
{"Ingredient_id": "HBIN006636","Ingredient_name": "[(2s,3r,4r)-4-(3,4-dimethoxybenzyl)-2-(3,4-dimethoxyphenyl)-tetrahydrofuran-3-yl]-methyl(2z)-2-methylbut-2-en-oate","Alias": "NA","Ingredient_formula": "C27H34O7","Ingredient_Smile": "CC=C(C)C(=O)OCC1C(COC1C2=CC(=C(C=C2)OC)OC)CC3=CC(=C(C=C3)OC)OC","Ingredient_weight": "470.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6210","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "10367451","DrugBank_id": "NA"}
methyl 2-[(1s,3s,7r,8r,9r,12s,13r)-13-(furan-3-yl)-6,6,8,12-tetramethyl-17-methylidene-5,15-dioxo-2,14-dioxatetracyclo[7.7.1.0¹,¹².0³,⁸]heptadecan-7-yl]acetate
(5ar,7ar,9r,11as,11bs)-7a,9,11b-trihydroxy-3-(4-methoxyphenyl)-5a,8,8,11a-tetramethyl-6,7,9,10,11,12-hexahydro-2,5-dioxatetraphen-1-one
4-heptyl-6-hydroxy-2'-methoxy-2,4'-dioxo-6'-pentylspiro[1-benzofuran-3,1'-cyclohexane]-2',5'-diene-5-carboxylic acid
methyl 2-[(1s,3s,7r,8r,9r,12s,13s)-13-(furan-3-yl)-6,6,9,12-tetramethyl-17-methylidene-5,15-dioxo-2,14-dioxatetracyclo[7.7.1.0¹,¹².0³,⁸]heptadecan-7-yl]acetate
20-acetyl-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
(2r,3r,4s,5s,6r)-2-{[(3r)-3-hydroxyoctyl]oxy}-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol
(4r)-4-[(1r,3ar,5ar,9as,11ar)-3a,6,6,9a,11a-pentamethyl-3,4,7,10,11-pentaoxo-1h,2h,5h,5ah,8h,9h-cyclopenta[a]phenanthren-1-yl]pentanoic acid
(5ar,7ar,9s,11as,11bs)-7a,9,11b-trihydroxy-3-(4-methoxyphenyl)-5a,8,8,11a-tetramethyl-6,7,9,10,11,12-hexahydro-2,5-dioxatetraphen-1-one
(1s,3s,4r,4ar,7r,8r,8as)-3,7,8-trihydroxy-3,4,8,8a-tetramethyl-4-[(1e)-2-(5-oxo-2h-furan-3-yl)ethenyl]-hexahydronaphthalen-1-yl benzoate
2-[6-hydroxy-4-methoxy-3-(2-methoxypropan-2-yl)-8-methyl-3,4-dihydro-2h-1-benzopyran-5-carbonyl]-4-(3-methylbut-2-en-1-yl)benzene-1,3-diol
(4ar,5r,6r,6as,7r,10ar,11as,11br)-4a,6,10a-trihydroxy-4,4,7,11b-tetramethyl-9-oxo-1h,2h,3h,5h,6h,6ah,7h,11h,11ah-phenanthro[3,2-b]furan-5-yl benzoate
6'-heptyl-6-hydroxy-2'-methoxy-2,4'-dioxo-4-pentylspiro[1-benzofuran-3,1'-cyclohexane]-2',5'-diene-5-carboxylic acid
(3r)-4-heptyl-6-hydroxy-2'-methoxy-2,4'-dioxo-6'-pentylspiro[1-benzofuran-3,1'-cyclohexane]-2',5'-diene-5-carboxylic acid
(1s,3s,4r,10r,12s,13s,15s,16r,17r,18s,20r)-18-[(2r,3r,4r)-3,4-dimethyl-5-oxooxolan-2-yl]-10,17-dihydroxy-4,17-dimethyl-19,21-dioxahexacyclo[11.6.1.1¹,¹⁵.0³,¹².0⁴,⁹.0¹⁶,²⁰]henicosa-6,8-dien-5-one
methyl 2-{2-[1-(furan-3-yl)-8a-methyl-5-methylidene-3-oxo-1,6,7,8-tetrahydroisochromen-6-yl]-3-hydroxy-2,6,6-trimethyl-5-oxocyclohexyl}acetate
(1r,4s,7s,9s)-6,9-dihydroxy-7-methyl-4-{[7-(3-methylbut-2-en-1-yl)-1h-indol-3-yl]methyl}-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-3-one
C28H30N4O3 (470.23177899999996)
(3r)-6'-heptyl-6-hydroxy-2'-methoxy-2,4'-dioxo-4-pentylspiro[1-benzofuran-3,1'-cyclohexane]-2',5'-diene-5-carboxylic acid
methyl 2-[(1r,3s,7r,8r,9r,12s,13s)-13-(furan-3-yl)-6,6,8,12-tetramethyl-17-methylidene-5,15-dioxo-2,14-dioxatetracyclo[7.7.1.0¹,¹².0³,⁸]heptadecan-7-yl]acetate
methyl 2-[(1r,3r,7s,8r,9r,12s,13s)-13-(furan-3-yl)-6,6,8,12-tetramethyl-17-methylidene-5,15-dioxo-2,14-dioxatetracyclo[7.7.1.0¹,¹².0³,⁸]heptadecan-7-yl]acetate
methyl 2-[13-(furan-3-yl)-6,6,9,12-tetramethyl-17-methylidene-5,15-dioxo-2,14-dioxatetracyclo[7.7.1.0¹,¹².0³,⁸]heptadecan-7-yl]acetate
(3s,4r,10s,12s,13s,15s,16r,17r,18r,20r)-18-[(2r,3r,4r)-3,4-dimethyl-5-oxooxolan-2-yl]-10,17-dihydroxy-4,17-dimethyl-19,21-dioxahexacyclo[11.6.1.1¹,¹⁵.0³,¹².0⁴,⁹.0¹⁶,²⁰]henicosa-6,8-dien-5-one
3-({3-acetyl-5-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-2,4,6-trihydroxyphenyl}methyl)-6-ethyl-4-hydroxy-5-methylpyran-2-one
methyl 2-[(1r,3s,7r,8r,9s,12s,13s)-13-(furan-3-yl)-6,6,8,12-tetramethyl-17-methylidene-5,15-dioxo-2,14-dioxatetracyclo[7.7.1.0¹,¹².0³,⁸]heptadecan-7-yl]acetate
methyl 2-[6-(furan-3-yl)-14-hydroxy-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.0²,¹¹.0⁵,¹⁰]heptadec-11-en-16-yl]acetate
5-amino-2-(aminomethyl)-6-[(2,4-diamino-5-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3,6-dihydroxycyclohexyl)oxy]oxane-3,4-diol
4-{3a,6,6,9a,11a-pentamethyl-2,4,7,10,11-pentaoxo-1h,3h,5h,5ah,8h,9h-cyclopenta[a]phenanthren-1-yl}pentanoic acid
18-(3,4-dimethyl-5-oxooxolan-2-yl)-10,17-dihydroxy-4,17-dimethyl-19,21-dioxahexacyclo[11.6.1.1¹,¹⁵.0³,¹².0⁴,⁹.0¹⁶,²⁰]henicosa-6,8-dien-5-one
3,7,8-trihydroxy-3,4,8,8a-tetramethyl-4-[2-(5-oxo-2h-furan-3-yl)ethenyl]-hexahydronaphthalen-1-yl benzoate
(10s,13s,16r,17s)-18-[(3r,4r)-3,4-dimethyl-5-oxooxolan-2-yl]-10,17-dihydroxy-4,17-dimethyl-19,21-dioxahexacyclo[11.6.1.1¹,¹⁵.0³,¹².0⁴,⁹.0¹⁶,²⁰]henicosa-6,8-dien-5-one
13-(acetylsulfanyl)-n-[2-hydroxy-6-(2-methylpyridin-4-yl)phenyl]tridecanimidic acid
methyl 2-[(1r,2r,5r,6r,10s,13s,14r,16s)-6-(furan-3-yl)-14-hydroxy-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.0²,¹¹.0⁵,¹⁰]heptadec-11-en-16-yl]acetate
(1s,7s,8z,12r,13s,14r)-14-(acetyloxy)-4,9,13,17-tetramethyl-5,15-dioxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-3,8,16-trien-12-yl (2e)-2-methylbut-2-enoate
(2r)-7-hydroxy-2-(4-hydroxy-2-methoxyphenyl)-8-[(2s)-5-hydroxy-5-methyl-2-(prop-1-en-2-yl)hexyl]-5-methoxy-2,3-dihydro-1-benzopyran-4-one
[(2s,3r,4r)-2-(3,4-dimethoxyphenyl)-4-[(3,4-dimethoxyphenyl)methyl]oxolan-3-yl]methyl (2e)-2-methylbut-2-enoate
methyl 2-[(1s,3s,7r,8r,9r,12s,13s)-13-(furan-3-yl)-6,6,8,12-tetramethyl-17-methylidene-5,15-dioxo-2,14-dioxatetracyclo[7.7.1.0¹,¹².0³,⁸]heptadecan-7-yl]acetate
(1r,3s,4r,10s,12s,13s,15s,16r,17r,18r,20r)-18-[(2r,3r,4r)-3,4-dimethyl-5-oxooxolan-2-yl]-10,17-dihydroxy-4,17-dimethyl-19,21-dioxahexacyclo[11.6.1.1¹,¹⁵.0³,¹².0⁴,⁹.0¹⁶,²⁰]henicosa-6,8-dien-5-one
(1s,3s,4s,4ar,7r,8r,8as)-3,7,8-trihydroxy-3,4,8,8a-tetramethyl-4-[(1e)-2-(5-oxo-2h-furan-3-yl)ethenyl]-hexahydronaphthalen-1-yl benzoate
methyl 2-{6-[6-(furan-3-yl)-7-methyl-11-methylidene-4-oxo-2,5-dioxatricyclo[5.4.0.0¹,³]undecan-10-yl]-2,2,6-trimethyl-3-oxocyclohexyl}acetate
(3s,4r,12r,13s,17r,20s)-18-[(2s,3r,4s)-3,4-dimethyl-5-oxooxolan-2-yl]-13,17-dihydroxy-4,17-dimethyl-19,21-dioxahexacyclo[11.6.1.1¹,¹⁵.0³,¹².0⁴,⁹.0¹⁶,²⁰]henicosa-6,9-dien-5-one
(1s,3r,4r,6r,7r,8s,9r,10r,13r,14r,16r)-3-(acetyloxy)-4,6,7,9,14-pentahydroxy-5,5,9,14-tetramethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁸]hexadecan-16-yl acetate
3-{[3-acetyl-5-(3,7-dimethylocta-2,6-dien-1-yl)-2,4,6-trihydroxyphenyl]methyl}-6-ethyl-4-hydroxy-5-methylpyran-2-one
methyl 2-[(1r,2r,5r,6r,13s,14r,16s)-6-(furan-3-yl)-14-hydroxy-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.0²,¹¹.0⁵,¹⁰]heptadec-10-en-16-yl]acetate
methyl 2-[(1r,2r,5r,6r,13s,14r,16r)-6-(furan-3-yl)-14-hydroxy-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.0²,¹¹.0⁵,¹⁰]heptadec-10-en-16-yl]acetate
methyl 2-[(1s,3r,7r,8r,9r,12s,13s)-13-(furan-3-yl)-6,6,8,12-tetramethyl-17-methylidene-5,15-dioxo-2,14-dioxatetracyclo[7.7.1.0¹,¹².0³,⁸]heptadecan-7-yl]acetate
methyl 2-[(1s,6r)-6-[(1s,3s,6s,7s,10r)-6-(furan-3-yl)-7-methyl-11-methylidene-4-oxo-2,5-dioxatricyclo[5.4.0.0¹,³]undecan-10-yl]-2,2,6-trimethyl-3-oxocyclohexyl]acetate
2-[(3s,4r)-6-hydroxy-4-methoxy-3-(2-methoxypropan-2-yl)-8-methyl-3,4-dihydro-2h-1-benzopyran-5-carbonyl]-4-(3-methylbut-2-en-1-yl)benzene-1,3-diol
methyl 2-[13-(furan-3-yl)-6,6,8,12-tetramethyl-17-methylidene-5,15-dioxo-2,14-dioxatetracyclo[7.7.1.0¹,¹².0³,⁸]heptadecan-7-yl]acetate
3-acetyl-25-(3,3-dimethyloxiran-2-yl)-1,3,13,15-tetraazaheptacyclo[18.4.1.0²,⁶.0⁶,²².0⁷,¹².0¹⁴,²².0¹⁶,²¹]pentacosa-7,9,11,16,18,20-hexaene-15-carbaldehyde
C28H30N4O3 (470.23177899999996)