Exact Mass: 422.2013
Exact Mass Matches: 422.2013
Found 500 metabolites which its exact mass value is equals to given mass value 422.2013
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Valtrats
Valtratum is a fatty acid ester. Valtrate is a natural product found in Valeriana pulchella, Valeriana alpestris, and other organisms with data available. See also: Viburnum opulus bark (part of). C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic Valepotriate can be isolated from?Valeriana jatamansi?Jones, has anti-epileptic and anti-cancer activities[1][2]. Valepotriate can be isolated from?Valeriana jatamansi?Jones, has anti-epileptic and anti-cancer activities[1][2].
Fludrocortisone acetate
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials CONFIDENCE standard compound; INTERNAL_ID 2101 Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Blasticidin S
Contact fungicide used against rice blast disease in Japan Blasticidin S is an antibiotic used to select transformed cells in genetic engineering. In short, DNA of interest is fused to DNA encoding a resistance gene, and then is transformed into cells. After allowing time for recovery and for cells to begin transcribing and translating their new DNA, blasticidin is added. Now only the cells that have the new DNA can grow D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D000890 - Anti-Infective Agents > D000935 - Antifungal Agents KEIO_ID B019; [MS3] KO008877 KEIO_ID B019; [MS2] KO008876 D004791 - Enzyme Inhibitors KEIO_ID B019
1-Octen-3-yl primeveroside
1-Octen-3-yl primeveroside is found in herbs and spices. 1-Octen-3-yl primeveroside is a constituent of spearmint (Mentha spicata var. crispa). Constituent of spearmint (Mentha spicata variety crispa). 1-Octen-3-yl primeveroside is found in herbs and spices.
Kanzonol J
Kanzonol J is found in herbs and spices. Kanzonol J is a constituent of Glycyrrhiza uralensis (Chinese licorice). Constituent of Glycyrrhiza uralensis (Chinese licorice). Kanzonol J is found in herbs and spices.
2',4,4'-Trihydroxy-6'-methoxy-3',5'-diprenylchalcone
2,4,4-Trihydroxy-6-methoxy-3,5-diprenylchalcone is found in alcoholic beverages. 2,4,4-Trihydroxy-6-methoxy-3,5-diprenylchalcone is a constituent of Humulus lupulus (hops) Constituent of Humulus lupulus (hops). 2,4,4-Trihydroxy-6-methoxy-3,5-diprenylchalcone is found in alcoholic beverages.
1-Methoxyficifolinol
1-Methoxyficifolinol is found in root vegetables. 1-Methoxyficifolinol is isolated from licorice (Glycyrrhiza sp.). Isolated from licorice (Glycyrrhiza species). 1-Methoxyficifolinol is found in root vegetables.
Fludrocortisone acetate
Xanthoangelol G
Xanthoangelol g is a member of the class of compounds known as 3-prenylated chalcones. 3-prenylated chalcones are chalcones featuring a C5-isoprenoid unit at the 3-position. Thus, xanthoangelol g is considered to be a flavonoid lipid molecule. Xanthoangelol g is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Xanthoangelol g can be found in angelica, which makes xanthoangelol g a potential biomarker for the consumption of this food product.
5-(Acetyloxy)-2,3,3a,4,5,8,9,11a-octahydro-6,10-bis(hydroxymethyl)-3-methylene-2-oxocyclodeca[b]furan-4-yl ester 2-methylbutanoic acid
3alpha-Acetoxy-4beta,8beta,10beta-trihydroxy-15,16-epoxy-cis-clerodane-13(16),14-dien-20,12-olide
Neurolenin B
A germacranolide isolated from Neurolaena lobata and Austroeupatorium inulifolium and has been shown to exhibit antimalarial activity.
Kaur-16-en-15-one,18-(acetyloxy)-7,20-epoxy-1,6,7,14-tetrahydroxy-, (1b,4a,6b,7a,14R)-
[3aS-(3aR*,4R*,5R*,6R*,10E,11aS*)]- 5-(Acetyloxy)-2,3,3a,4,5,6,7,8,9,11a-decahydro-6-hydroxy-6,10-dimethyl-3-methylene-2,7-dioxocyclodeca[b]furan-4-yl ester 3-methylbutanoic acid
2,3-bis[(4-hydroxy-3,5-dimethoxyphenyl)-methyl]-1,4-butanediol
5-Deoxyhomoflemingin
1-Methoxyficifolinol
A member of the class of pterocarpans that is (6aR,11aR)-pterocarpan substituted by hydroxy groups at positions 3 and 9, a methoxy group at position 1 and a prenyl groups at positions 2 and 8. It has been isolated from Glycyrrhiza uralensis.
[(6Z,10Z)-6-(acetyloxymethyl)-10-(hydroperoxymethyl)-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylbutanoate
8alpha-acetoxy-15-hydroxy-14-(2-methyl-3-hydroxybutyryloxy)-costunolide|8alpha-acetoxy-15-hydroxy-14-<2-methyl-3-hydroxybutyryloxy>-costunolide
1-[2-Methoxy-3-(3-methyl-2-butenyl)-4-hydroxyphenyl]-3-[3-(3-methyl-2-butenyl)-4-hydroxyphenyl]-1,3-propanedione
2-desoxy-8-epi-florilenalin-(2-O-acetyl-L-alpha-arabinopyranoside)|2-desoxy-8-epi-florilenalin-<2-O-acetyl-L-alpha-arabinopyranoside>
14,15beta;21,23-Diepoxy-4,4,8-trimethyl-24-nor-5xi,13alpha,14beta,17betaH-chola-1,20,22-trien-3,6,7-trion|14,15beta;21,23-diepoxy-4,4,8-trimethyl-24-nor-5xi,13alpha,14beta,17betaH-chola-1,20,22-triene-3,6,7-trione
8-O-acetyl-2beta-hydroxy-2,3-dihydro-desacyllinearifolin B-6-O-(2-methylbutyrate)|8-O-acetyl-2beta-hydroxy-2,3-dihydro-desacyllinearifolin B-6-O-<2-methylbutyrate>
oct-1-en-3-yl alpha-arabinofuranosyl-(1->6)-beta-glucopyranoside
4-O-acetyl-6beta,9beta-dihydroxypulchellin-2-O-angelate
lespeflorin D1
A hydroxyisoflavanone that is isoflavanone substituted by hydroxy groups at positions 7 and 4, a methoxy group at position 2 and prenyl groups at positions 8 and 3. Isolated from the roots of Lespedeza floribunda, it acts as a melanin synthesis inhibitor.
OC1=C(C=C2C(C(COC2=C1)C1=C(C=C(C=C1)O)OC)=O)CC=C(/C)CCC=C(C)C
14-acetoxyartemisiifolin-6-O-(2-methyl-3-hydroxybutyrate)|14-acetoxyartemisiifolin-6-O-<2-methyl-3-hydroxybutyrate>
[3aS-(3aR*,4R*,5R*,6R*,10E,11aS*)]- 5-(Acetyloxy)-2,3,3a,4,5,6,7,8,9,11a-decahydro-6-hydroxy-6,10-dimethyl-3-methylene-2,7-dioxocyclodeca[b]furan-4-yl ester 3-methylbutanoic acid
2,4,4-trihydroxy-3-[(2E)-5-methoxy-3,7-dimethylocta-2,6-dienyl]chalcone
1,1-bis-<2-senecionyl-4-(1-ethyl)-phenoxy>ether|1,1-bis-[2-senecionyl-4-(1-ethyl)-phenoxy]ether|meso-1,1-bis-<2-senecionyl-4-(1-ethyl)-phenoxy>ether
5,7-dihydroxy-4-methoxy-8,3-bis(3-methylbut-2-enyl)-flavan-4-one|nimbaflavone
9beta-acetoxy-2beta-hydroxy-6alpha-(2-methylbutyryloxy)-2,3-dihydroaromaticin
8alpha-O-(4-acetoxy-5-hydroxyangeloyl)-11beta,13-dihydrocnicin|8alpha-O-(4-acetoxy-5-hydroxyangeloyl)-11beta,13-dihydrosalonitenolide
2,2-Dimethyl-5-(4-hydroxyphenethyl)-7-hydroxy-8-(3-methyl-2-butenyl)-2H-1-benzopyran-6-carboxylic acid methyl ester
1alpha-acetoxy-6beta,7beta,14beta,15beta-tetrahydroxy-ent-kaur-16-en-7alpha,20-olide|isoadenolin L
(6aR,11aR)-3,9-dihydroxy-4-geranyl-1-methoxypterocarpan|bicolosin C
withahisolide E|[(20S,22R,24R)-6alpha,7alpha-epoxy-5alpha-hydroxy-27,28-dinor-17(13?18)-abeo-1-oxo-5alpha-ergost-2,13,15,17-tetraen-22,25-olide]
4beta,10beta-dihydroxy-8alpha-angeloyloxy-11alpha-acetoxyslov-2-enolide
5,5-Dimethoxysecoisolariciresinol
(2R,3R)-2,3-bis[(4-hydroxy-3,5-dimethoxyphenyl)methyl]butane-1,4-diol is a natural product found in Santalum album with data available.
1alpha-acetoxy-8-desacylzacatechinolide-(2-methyl butyrate)
10-Acetoxy-9-angeloyloxy-7-(2-methylbutyryloxy)-8-hydroxy-thymol|7-(2-Methylbutanoyl),9-angeloyl,10-Ac: p-Mentha-1,3,5-triene-3,7,8,9,10-penol
2,3-Dihydro-3-(2-methoxy-4-hydroxyphenyl)-6,8-di(3-methyl-2-butenyl)-7-hydroxychromone
1(10)E-(3S,4R,5R,7S,8S)-14-acetyloxy-3,4-epoxy-5-hydroxy-15-isovaleroyloxygermacra-1(10),11(13)-dien-8,12-olide
6beta-acetoxy-3beta-angeloyloxy-8beta,10beta-dihydroxyeremophilenolide
(1S,2S,4R,5S,6R,7S,8R,9R,10S)-2-angeloyloxy-4,6-dihydroxy-9-acetoxypseudoguaian-11(13)-en-8
4a,7b,9-trihydroxy-1,3-bis(hydroxymethyl)-1,6,8-trimethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9ah-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl acetate
(1R,2S,4R,5R,7R,8R,10R,11R)-13-Acetoxy-2-angelyloxy-5,11-epoxy-4-hydroxyguaian-8,12-olide
1alpha-acetoxy-6beta,8alpha-dihydroxy-9beta-furoyloxy-beta-agarofuran
lespeflorin G2
A member of the class of pterocarpans that is (6aR,11aR)-pterocarpan substituted by hydroxy groups at positions 3 and 8, a methoxy group at position 9 and prenyl groups at positions 2 and 10. Isolated from the roots of Lespedeza floribunda, it acts as a melanin synthesis inhibitor.
(1alpha,6beta,7beta,14R)-1-acetoxy-7,20-epoxy-6,7,14-trihydroxykaur-16-en-15-one|lasiodin
3beta-methoxy-8-desacyl-2,3-dihydroereglomerulide-8-O-methacrylate
Xerophilusin G
4,5-Dihydroxy-2-((5-methyl-3,8-dimethylene-2-oxododecahydroazuleno[6,5-b]furan-5-yl)oxy)tetrahydro-2H-pyran-3-yl acetate
2-Desoxypleniradin-L-α-arabinopyranoside, 2-acetate
fludrocortisone
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials CONFIDENCE standard compound; EAWAG_UCHEM_ID 3240 Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-oct-1-en-3-yloxyoxane-3,4,5-triol
2-oct-1-en-3-yloxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxane-3,4,5-triol
(2S)-5,7-dihydroxy-2-[4-methoxy-3,5-bis(3-methylbut-2-enyl)phenyl]-2,3-dihydrochromen-4-one
C22H30O8_2-[6-{[(2Z)-4-Acetoxy-2-methyl-2-butenoyl]oxy}-2-hydroxy-3-(3-hydroxy-1-propen-2-yl)-4-methyl-4-vinylcyclohexyl]acrylic acid
C22H30O8_(5S,10Z,11aR)-5-Acetoxy-6,10-bis(hydroxymethyl)-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl 2-methylbutanoate
[(6Z,10Z)-6-(acetyloxymethyl)-10-(hydroperoxymethyl)-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylbutanoate_major
[(6Z,10Z)-6-(acetyloxymethyl)-10-(hydroperoxymethyl)-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylbutanoate_17.0\\%
Ala Ala Val Tyr
Ala Ala Tyr Val
Ala Phe Ser Val
Ala Phe Val Ser
Ala Gly Ile Tyr
Ala Gly Leu Tyr
Ala Gly Tyr Ile
Ala Gly Tyr Leu
Ala Ile Gly Tyr
Ala Ile Tyr Gly
Ala Leu Gly Tyr
Ala Leu Tyr Gly
Ala Ser Phe Val
Ala Ser Val Phe
Ala Val Ala Tyr
Ala Val Phe Ser
Ala Val Ser Phe
Thr Thr Thr Thr
1-Octen-3-yl primeveroside
Kanzonol J
8-[4-(1,4-BENZODIOXAN-2-YLMETHYLAMINO)BUTYL]-8-AZASPIRO[4.5]DECANE-7,9-DIONE HYDROCHLORIDE
(3aR,6aR)-6-((tert-butyldiphenylsilyloxy)methyl)-2,2-dimethyl-3aH-cyclopenta[d][1,3]dioxol-4(6aH)-one
4-Azido-2-deoxy-2-methyl-cytidine di-isobutyryl ester
(2E,8R)-8-{[3,6-dideoxy-4-O-(4-hydroxybenzoyl)-alpha-L-arabino-hexopyranosyl]oxy}non-2-enoic acid
(4Z)-2,8:7,12:11,15:14,18:17,22-pentaanhydro-4,5,6,9,10,13,19,20,21-nonadeoxy-L-arabino-L-allo-L-allo-docosa-4,9,20-trienitol
AIDS-096029
N-[4-[5-[[1-[(3-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
4-[[(3S)-4-[[4-[[(3S)-4-amino-3-hydroxybutyl]-hydroxyamino]-4-oxobutanoyl]amino]-3-hydroxybutyl]-hydroxyamino]-4-oxobutanoic acid
(2S,3S,6R)-3-[[(2S)-2-amino-5-(diaminomethylideneamino)-3-methylpentanoyl]amino]-6-(4-amino-2-oxopyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid
Cytovirin
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D000890 - Anti-Infective Agents > D000935 - Antifungal Agents D004791 - Enzyme Inhibitors
Blasticidin S
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents A blasticidin that is an antibiotic obtained from Streptomyces griseochromogene. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D000890 - Anti-Infective Agents > D000935 - Antifungal Agents D004791 - Enzyme Inhibitors
3-cyclohexyl-6-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-1H-pyrimidine-2,4-dione
Phe-Trp-Ala
A tripeptide composed of L-phenylalanine, L-tryptophan, and L-alanine joined by peptide linkages.
2-hydroxy-N-(2-methyl-4-oxoquinazolin-3-yl)-1-(2-methylpropyl)-4-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide
4-[[anilino-(4-methylphenyl)methyl]-propoxyphosphoryl]-N,N-dimethylaniline
1-[4-[3-Methyl-4-(3-methylphenyl)-1-piperazinyl]-3-nitrophenyl]piperidine-2,6-dione
[(1R,2S,5R,8R,9S,10S,11R,15S,18R)-9,10,16,18-tetrahydroxy-12,12-dimethyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-15-yl] acetate
1-[[(4-chloroanilino)-oxomethyl]amino]-N-[3-(4-morpholinyl)propyl]-1-cyclohexanecarboxamide
N-(1,3-benzodioxol-5-ylmethyl)-1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-piperidinecarboxamide
4-Amino-3-[(cyclohexylamino)-oxomethyl]-5-isothiazolecarboxylic acid [1-(cyclohexylamino)-1-oxopropan-2-yl] ester
3-[[[1-[(4-fluorophenyl)methyl]-5-tetrazolyl]methyl-(2-hydroxyethyl)amino]methyl]-7-methyl-1H-quinolin-2-one
N-[1-(phenylmethyl)-4-piperidinyl]-2-(2-pyridinyl)-4-quinolinecarboxamide
1-Benzyl-4-({2-[4-(benzyloxy)benzylidene]hydrazino}carbonyl)pyridinium chloride
(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-oct-1-en-3-yloxyoxane-3,4,5-triol
(1S,9R,10R,11R)-10-(hydroxymethyl)-11-(piperidine-1-carbonyl)-12-(pyridine-2-carbonyl)-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-dien-6-one
N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-(4-propan-2-yl-1-triazolyl)ethyl]-3-oxanyl]-1-phenylmethanesulfonamide
N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-(4-propan-2-yl-1-triazolyl)ethyl]-3-oxanyl]-1-phenylmethanesulfonamide
1-[(1R,2aS,8bS)-1-(hydroxymethyl)-4-[oxo(3-pyridinyl)methyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-2-(4-morpholinyl)ethanone
1-[(1S,2aS,8bS)-1-(hydroxymethyl)-4-[oxo(3-pyridinyl)methyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-2-(4-morpholinyl)ethanone
(1R,9S,10S,11S)-10-(hydroxymethyl)-11-(piperidine-1-carbonyl)-12-(pyridine-2-carbonyl)-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-dien-6-one
N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-(4-propan-2-yl-1-triazolyl)ethyl]-3-oxanyl]-1-phenylmethanesulfonamide
N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-(4-propan-2-yl-1-triazolyl)ethyl]-3-oxanyl]-1-phenylmethanesulfonamide
N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-(4-propan-2-yl-1-triazolyl)ethyl]-3-oxanyl]-1-phenylmethanesulfonamide
N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-(4-propan-2-yl-1-triazolyl)ethyl]-3-oxanyl]-1-phenylmethanesulfonamide
N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-(4-propan-2-yl-1-triazolyl)ethyl]-3-oxanyl]-1-phenylmethanesulfonamide
N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-(4-propan-2-yl-1-triazolyl)ethyl]-3-oxanyl]-1-phenylmethanesulfonamide
1-[(1S,2aR,8bR)-1-(hydroxymethyl)-4-[oxo(3-pyridinyl)methyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-2-(4-morpholinyl)ethanone
1-[(1R,2aR,8bR)-1-(hydroxymethyl)-4-[oxo(3-pyridinyl)methyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-2-(4-morpholinyl)ethanone
N-[4-[5-[[(3R)-1-[(3-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
[1-Acetyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] octanoate
[1-Butanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] hexanoate
[2-Pentanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] pentanoate
[1-Propanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] heptanoate
(1-acetyloxy-3-phosphonooxypropan-2-yl) (Z)-tetradec-9-enoate
(1-phosphonooxy-3-propanoyloxypropan-2-yl) (Z)-tridec-9-enoate
[(5S,10Z,11aR)-5-acetyloxy-6,10-bis(hydroxymethyl)-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylbutanoate
Fludrocortisone acetate
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1->6)-beta-D-glucopyranoside
1,2-Dioctanoyl-sn-glycero-3-phosphate(2-)
A 1,2-diacyl-sn-glycerol 3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 1,2-dioctanoyl-sn-glycero-3-phosphate; major species at pH 7.3.
6alpha-Fluoro-17-hydroxycorticosterone 21-acetate
KT109
KT109 is a potent and an isoform-selective inhibitor of?diacylglycerol lipase-β (DAGLβ) with an IC50 of 42 nM. KT109 has ~60-fold selectivity for DAGLβ over DAGLα. KT109 shows inhibitory activity against PLA2G7 (IC50=1 μM). KT109 shows negligible activity against FAAH, MGLL, ABHD11, and cytosolic phospholipase A2 (cPLA2 or PLA2G4A). KT109 perturbs a lipid network involved in macrophage inflammatory responses and lowers 2-arachidonoylglycerol (2-AG), arachidonic acid and eicosanoids in mouse peritoneal macrophages[1].
6-(acetyloxy)-1-[(3-methylbutanoyl)oxy]-6,7a-dihydro-1h-spiro[cyclopenta[c]pyran-7,2'-oxiran]-4-ylmethyl 3-methylbutanoate
(3ar,4s,5r,6r,10r,11ar)-5-(acetyloxy)-6-hydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3ah,4h,5h,10h,11h,11ah-cyclodeca[b]furan-4-yl (2s)-2-methylbutanoate
(1s,10s)-3-methoxy-4,15-bis(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2(7),3,5,11,13,15-hexaene-5,10-diol
(1r,2r,4r,7s,10s,11r)-6-(furan-3-yl)-17-hydroxy-1,7,11,15,15-pentamethyl-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadeca-12,16-diene-14,18-dione
(1r,2r,6r,9s,10r,11s,13s,15r)-9-hydroperoxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxotetracyclo[8.5.0.0²,⁶.0¹¹,¹³]pentadeca-3,7-dien-13-yl acetate
(3r)-7-hydroxy-3-(4-hydroxy-2-methoxyphenyl)-6,8-bis(3-methylbut-2-en-1-yl)-2,3-dihydro-1-benzopyran-4-one
(3as,4s,5r,6r,11ar)-5-(acetyloxy)-6-hydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3ah,4h,5h,8h,11h,11ah-cyclodeca[b]furan-4-yl 3-methylbutanoate
(2r,3r,4s,5s,6r)-2-[(3r)-oct-1-en-3-yloxy]-6-({[(2s,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxane-3,4,5-triol
(2s)-5,7-dihydroxy-2-[4-methoxy-3-(3-methylbut-3-en-1-yl)phenyl]-8-(3-methylbut-2-en-1-yl)-2,3-dihydro-1-benzopyran-4-one
(1's,3s,3'r,4'r,8'r,9'z,11's,13's)-11',13'-dihydroxy-1',10'-dimethyl-6'-oxo-4,5-dihydro-7',14'-dioxaspiro[pyrazole-3,5'-tricyclo[9.2.1.0⁴,⁸]tetradecan]-9'-en-3'-yl (2r)-2-methylbutanoate
(3ar,4r,5r,6s,6ar,7r,9ar,9br)-7-(acetyloxy)-4,6-dihydroxy-6,9-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,6ah,7h,9ah,9bh-azuleno[4,5-b]furan-5-yl 3-methylbutanoate
(2s)-2-{[(2r)-2-{[(2r)-2-amino-1-hydroxy-3-phenylpropylidene]amino}-1-hydroxypropylidene]amino}-3-(1h-indol-3-yl)propanoic acid
4-(acetyloxy)-5,9-dihydroxy-4a,8-dimethyl-3-methylidene-2-oxo-octahydro-3ah-azuleno[6,5-b]furan-7-yl 2-methylbut-2-enoate
(2s,3s)-2,3-bis[(4-hydroxy-3,5-dimethoxyphenyl)methyl]butane-1,4-diol
8-[(6r)-9-methoxy-13,13-dimethyl-4,14-dioxatricyclo[8.4.0.0³,⁸]tetradeca-1(10),2,8-trien-6-yl]-2,2-dimethylchromen-5-ol
(2s,3s,6r)-3-{[(3s)-3-carbamimidamido-1-hydroxy-5-(methylamino)pentylidene]amino}-6-(2-hydroxy-4-iminopyrimidin-1-yl)-3,6-dihydro-2h-pyran-2-carboxylic acid
3-methoxy-6-[(3r,8r)-8-methyl-8-(4-methylpent-3-en-1-yl)-2h,3h,4h-pyrano[2,3-f]chromen-3-yl]benzene-1,2-diol
1-[2,4-dihydroxy-3-(5-methoxy-3,7-dimethylocta-2,6-dien-1-yl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
3-{[3-amino-1-hydroxy-5-(n-methylcarbamimidamido)pentylidene]amino}-6-(2-hydroxy-4-iminopyrimidin-1-yl)-3,6-dihydro-2h-pyran-2-carboxylic acid
[(1r,3r,4r,6s,8e,11s)-9-[(acetyloxy)methyl]-3-hydroxy-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.0⁴,⁶]tetradec-8-en-4-yl]methyl 3-methylbutanoate
[4-(acetyloxy)-10-(hydroxymethyl)-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-6-yl]methyl 3-hydroxy-2-methylbutanoate
1-[2-hydroxy-5-(1-{1-[4-hydroxy-3-(3-methylbut-2-enoyl)phenyl]ethoxy}ethyl)phenyl]-3-methylbut-2-en-1-one
(2e)-1-[(1r,9s,10r,13s)-5,10-dihydroxy-13-isopropyl-3-methoxy-10-methyl-8-oxatricyclo[7.4.0.0²,⁷]trideca-2(7),3,5-trien-6-yl]-3-phenylprop-2-en-1-one
(1r,2r,4r,6s,7s,10r,11r)-6-(furan-3-yl)-17-hydroxy-1,7,11,15,15-pentamethyl-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadeca-12,16-diene-14,18-dione
[(1r,2s,5s,8r,9s,10s,11s,12r,15r,18r)-9,10,15,18-tetrahydroxy-12-methyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecan-12-yl]methyl acetate
1,6,14-trihydroxy-8,12-bis(hydroxymethyl)-4,12,15-trimethyl-5-oxotetracyclo[8.5.0.0²,⁶.0¹¹,¹³]pentadeca-3,8-dien-13-yl acetate
9-(acetyloxy)-3,6,10-trimethyl-2-oxo-3h,3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl 4-hydroxy-2-(hydroxymethyl)but-2-enoate
[(1s,2s,5r,8s,9r,10s,11r,12r,13s,15r)-9,10,13,15-tetrahydroxy-12-methyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecan-12-yl]methyl acetate
(1''s,3r,4''s,5r,5's,6''r,8''s,12''r)-5-hydroxy-1'',6'',8''-trimethyl-2'',5''-dioxodispiro[bis(oxolane)-3,2':5',7''-[3]oxatricyclo[6.3.1.0⁴,¹²]dodecan]-6''-yl acetate
5-(acetyloxy)-6-hydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3ah,4h,5h,8h,11h,11ah-cyclodeca[b]furan-4-yl 3-methylbutanoate
(2s)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-6,8-bis(3-methylbut-2-en-1-yl)-2,3-dihydro-1-benzopyran-4-one
methyl 7-{4-ethenyl-4,6-dimethyl-5-oxo-2h,3h-pyrano[2,3-b]chromen-2-yl}-2,6-dimethylhepta-2,6-dienoate
1-{5,10-dihydroxy-13-isopropyl-3-methoxy-10-methyl-8-oxatricyclo[7.4.0.0²,⁷]trideca-2(7),3,5-trien-6-yl}-3-phenylprop-2-en-1-one
7-hydroxy-2-(2-hydroxyphenyl)-5-methoxy-8-[5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]-2,3-dihydro-1-benzopyran-4-one
5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-6,8-bis(3-methylbut-2-en-1-yl)-2,3-dihydro-1-benzopyran-4-one
6-(3,7-dimethylocta-2,6-dien-1-yl)-7-hydroxy-3-(4-hydroxy-2-methoxyphenyl)-2,3-dihydro-1-benzopyran-4-one
(2s)-2-{[(2s)-2-{[(2s)-2-amino-1-hydroxy-3-phenylpropylidene]amino}-1-hydroxy-3-(1h-indol-3-yl)propylidene]amino}propanoic acid
(5 ar,6r,9r,9 ar)-4-cinnamoyl-3,6-dihydroxy-1-methoxy-6-methyl-9-(1-methylethyl)-5a,6,7,8,9a-hexahydro-dibenzofuran
{"Ingredient_id": "HBIN011443","Ingredient_name": "(5 ar,6r,9r,9 ar)-4-cinnamoyl-3,6-dihydroxy-1-methoxy-6-methyl-9-(1-methylethyl)-5a,6,7,8,9a-hexahydro-dibenzofuran","Alias": "(5ar,6r,9r,9ar)-4-cinnamoyl-3,6-dihydroxy-1-methoxy-6-methyl-9-(1-methylethyl)-5a,6,7,8,9a-hexahydro-dibenzofuran","Ingredient_formula": "C26H30O5","Ingredient_Smile": "CC(C)C1CCC(C2C1C3=C(C=C(C(=C3O2)C(=O)C=CC4=CC=CC=C4)O)OC)(C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "3702;30785","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}