Exact Mass: 456.2300472
Exact Mass Matches: 456.2300472
Found 500 metabolites which its exact mass value is equals to given mass value 456.2300472
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Kurarinol
Kurarinol is a trihydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 7, 2 and 4 , a methoxy group at position 5 and a (2S)-5-hydroxy-5-methyl-2-(prop-1-en-2-yl)hexyl group at position 8 respectively. It has a role as an anti-inflammatory agent, an antioxidant and a plant metabolite. It is a trihydroxyflavanone, a monomethoxyflavanone and a member of 4-hydroxyflavanones. It is functionally related to a (2S)-flavanone. Kurarinol is a natural product found in Albizia julibrissin and Sophora flavescens with data available. A trihydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 7, 2 and 4 , a methoxy group at position 5 and a (2S)-5-hydroxy-5-methyl-2-(prop-1-en-2-yl)hexyl group at position 8 respectively.
Vindoline
Vindoline is a vinca alkaloid, an alkaloid ester, an organic heteropentacyclic compound, a methyl ester, an acetate ester, a tertiary amino compound and a tertiary alcohol. It is a conjugate base of a vindolinium(1+). Vindoline is a natural product found in Catharanthus ovalis, Catharanthus trichophyllus, and other organisms with data available. Vindoline is an indole alkaloid that exhibits antimitotic activity by inhibiting microtubule assembly. (NCI) D000970 - Antineoplastic Agents > D014748 - Vinca Alkaloids C1744 - Multidrug Resistance Modulator Vindoline, a vinca alkaloid extracted from the leaves of Catharanthus roseus, weakly inhibits tubulin self-assembly[1]. Vindoline, a vinca alkaloid extracted from the leaves of Catharanthus roseus, weakly inhibits tubulin self-assembly[1].
Phytyl diphosphate
Phytyl diphosphate participates in biosynthesis of steroids as well as porphyrin and metabolism. Phytyl diphosphate is produced from Geranylgeranyl diphosphate in biosynthesis of steroids. [HMDB]. Phytyl diphosphate is found in many foods, some of which are highbush blueberry, wild leek, evergreen huckleberry, and allium (onion). Phytyl diphosphate participates in biosynthesis of steroids as well as porphyrin and metabolism. Phytyl diphosphate is produced from Geranylgeranyl diphosphate in biosynthesis of steroids.
D1927
C21H36N4O5S (456.24062860000004)
Kuraridinol
A member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 2, 4, 2 and 4, a methoxy group at position 6 and a 5-hydroxy-5-methyl-2-(prop-1-en-2-yl)hexyl group at position 3 respectively.
Rigin
Rigin (glycyl-L-glutaminyl-L-prolyl-L-arginine) is a tetrapeptide with functions similar to those of tuftsin. [HMDB] Rigin (glycyl-L-glutaminyl-L-prolyl-L-arginine) is a tetrapeptide with functions similar to those of tuftsin.
1-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-glycero-3-phosphate
1-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-glycero-3-phosphate is classified as a member of the 1-acylglycerol-3-phosphates. 1-acylglycerol-3-phosphates are lysophosphatidic acids where the glycerol is esterified with a fatty acid at O-1 position. 1-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-glycero-3-phosphate is considered to be practically insoluble (in water) and acidic. 1-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-glycero-3-phosphate is a glycerophosphate lipid molecule
LysoPA(20:5(5Z,8Z,11Z,14Z,17Z)/0:0)
LysoPA(20:5(5Z,8Z,11Z,14Z,17Z)/0:0) is a lysophosphatidic acid. It is a glycerophospholipid in which a phosphate moiety occupies a glycerol substitution site. Lysophosphatidic acids can have different combinations of fatty acids of varying lengths and saturation attached at the C-1 (sn-1) or C-2 (sn-2) position. Fatty acids containing 16 and 18 carbons are the most common. LysoPA(20:5(5Z,8Z,11Z,14Z,17Z)/0:0), in particular, consists of one chain of eicosapentaenoic acid at the C-1 position. Lysophosphatidic acid is the simplest possible glycerophospholipid. It is the biosynthetic precursor of phosphatidic acid. Although it is present at very low levels only in animal tissues, it is extremely important biologically, influencing many biochemical processes.
N-[(2S)-1-[[(2S)-1-Amino-1-oxopropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide
Vindoline
Melianthugenin
1-(3-Furyl)-5-hydroxy-4b,7,7,9b,11a-pentamethyldodecahydrooxireno[2,3-d]oxireno[2,3:7,8]naphtho[2,1-f]isochromene-3,8(3ah,4bh)-dione #
berkeleydione
A meroterpenoid found in Penicillium rubrum. It has been shown to exhibit inhibitory activity against caspase-1.
11-O-acetyl-8-epi-torilolone 8-O-beta-D-glucopyranoside
1,5,8-Trihydroxy-12,13-dihydro-3,10-dimethyl-5,12-diisopropyldibenzo[a,h]anthracene-6(5H)-one
2,2-Dimethyl-5,10-dimethoxy-9-hydroxy-11-(3-methoxy-3-methylbutyl)-2,3,4,12-tetrahydro-1,7-dioxabenzo[a]anthracene-12-one
(+)-chloranthalacatone F|(1aS,5aR,5bR,9aS,10aS,11aR,11bS,11cS,11dS,11eS,11fR,12aS)-3,8,11b,11e-tetramethyl-1,10-dimethylene-1,1a,2,9,9a,10,10a,11,11a,11d,11e,11f,12,12a-tetradecahydrocyclopropa[3,4]cyclopenta[1,2:3,4]cyclopenta[1,2:5,6]biphenyleno[8a,8-b:8b,1-b]difuran-4,7(11bH,11cH)-dione|chloranthalactone A photodimer|Chloranthalactone F
(2S)-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-(4-hydroxy-4-methylpentyl)-8-methyl-2,3,7,8-tetrahydropyrano[3,2-g]chromen-4(6H)-one|Tomentin B
methyl (2beta,12beta,19alpha)-1-[(2E)-3-phenylprop-2-enoyl]aspidospermidin-21-oate|N1-cinnamoyl-12-demethoxycylindrocarine
8,10-dihydroxy-5a-isopropyl-2,2,4,4-tetramethyl-7-(3-methylbutyryl)-5a,10b-dihydro-4H-benzo[b]benzo[4,5]furo[3,2-d]furan-1,3-dione|rhodomyrtosone A
(2S)-8-(5-hydroxy-2-isoprenyl-5-methylhexyl)-7-methoxy-5,2,4-trihydroxyflavanone
16-methoxy-cathovaline|Dihydrovindoline ether|Dihydrovindolinether|ent-4alpha-acetoxy-3,6alpha-epoxy-16-methoxy-1-methyl-aspidospermidine-3beta-carboxylic acid methyl ester
(2S)-6-[2-(1-hydroxy-1-methylethyl)-5-methyl-4-hexenyl]-5-methoxy-7,2,4-trihydroxyflavanone
1,6-Dihydroxy-2-(3-methyl-2-butenyl)-3,7-dimethoxy-8-(3-methoxy-3-methylbutyl)-9H-xanthene-9-one
9-Hydroxy-gamma-geraniol-1-O-(6-acetyl-3-angelyl)-beta-D-glucopyranoside|9-Hydroxy-gamma-geraniol-1-O-<6-acetyl-3-angelyl>-beta-D-glucopyranoside
16beta-acetoxy-3beta,14beta-dihydroxy-19-oxo-bufa-4,20,22-trienolide|scillicyanosidin
1,7-Dideacetoxy-1,7-Dioxo-3-Deacetylkhivorin_major
Ala His Met Val
Ala His Val Met
Ala Met His Val
Ala Met Val His
Ala Asn Pro Arg
Ala Asn Arg Pro
Ala Pro Asn Arg
Ala Pro Arg Asn
Ala Arg Asn Pro
Ala Arg Pro Asn
Ala Val His Met
Ala Val Met His
Cys His Val Val
Cys Val His Val
Cys Val Val His
Phe Pro Pro Pro
Gly His Ile Met
Gly His Leu Met
Gly His Met Ile
Gly His Met Leu
Gly Ile His Met
Gly Ile Met His
Gly Leu His Met
Gly Leu Met His
Gly Met His Ile
Gly Met His Leu
Gly Met Ile His
Gly Met Leu His
Gly Pro Gln Arg
Gly Pro Arg Gln
Gly Gln Pro Arg
Gly Gln Arg Pro
Gly Arg Pro Gln
Gly Arg Gln Pro
His Ala Met Val
His Ala Val Met
His Cys Val Val
His Gly Ile Met
His Gly Leu Met
His Gly Met Ile
His Gly Met Leu
His Ile Gly Met
His Ile Met Gly
His Ile Ser Thr
C19H32N6O7 (456.23323619999996)
His Ile Thr Ser
C19H32N6O7 (456.23323619999996)
His Leu Gly Met
His Leu Met Gly
His Leu Ser Thr
C19H32N6O7 (456.23323619999996)
His Leu Thr Ser
C19H32N6O7 (456.23323619999996)
His Met Ala Val
His Met Gly Ile
His Met Gly Leu
His Met Ile Gly
His Met Leu Gly
His Met Val Ala
His Ser Ile Thr
C19H32N6O7 (456.23323619999996)
His Ser Leu Thr
C19H32N6O7 (456.23323619999996)
His Ser Thr Ile
C19H32N6O7 (456.23323619999996)
His Ser Thr Leu
C19H32N6O7 (456.23323619999996)
His Thr Ile Ser
C19H32N6O7 (456.23323619999996)
His Thr Leu Ser
C19H32N6O7 (456.23323619999996)
His Thr Ser Ile
C19H32N6O7 (456.23323619999996)
His Thr Ser Leu
C19H32N6O7 (456.23323619999996)
His Thr Thr Val
C19H32N6O7 (456.23323619999996)
His Thr Val Thr
C19H32N6O7 (456.23323619999996)
His Val Ala Met
His Val Cys Val
His Val Met Ala
His Val Thr Thr
C19H32N6O7 (456.23323619999996)
His Val Val Cys
Ile Gly His Met
Ile Gly Met His
Ile His Gly Met
Ile His Met Gly
Ile His Ser Thr
C19H32N6O7 (456.23323619999996)
Ile His Thr Ser
C19H32N6O7 (456.23323619999996)
Ile Met Gly His
Ile Met His Gly
Ile Met Pro Pro
C21H36N4O5S (456.24062860000004)
Ile Asn Asn Pro
C19H32N6O7 (456.23323619999996)
Ile Asn Pro Asn
C19H32N6O7 (456.23323619999996)
Ile Pro Met Pro
C21H36N4O5S (456.24062860000004)
Ile Pro Asn Asn
C19H32N6O7 (456.23323619999996)
Ile Pro Pro Met
C21H36N4O5S (456.24062860000004)
Ile Ser His Thr
C19H32N6O7 (456.23323619999996)
Ile Ser Thr His
C19H32N6O7 (456.23323619999996)
Ile Thr His Ser
C19H32N6O7 (456.23323619999996)
Ile Thr Ser His
C19H32N6O7 (456.23323619999996)
Leu Gly His Met
Leu Gly Met His
Leu His Gly Met
Leu His Met Gly
Leu His Ser Thr
C19H32N6O7 (456.23323619999996)
Leu His Thr Ser
C19H32N6O7 (456.23323619999996)
Leu Met Gly His
Leu Met His Gly
Leu Met Pro Pro
C21H36N4O5S (456.24062860000004)
Leu Asn Asn Pro
C19H32N6O7 (456.23323619999996)
Leu Asn Pro Asn
C19H32N6O7 (456.23323619999996)
Leu Pro Met Pro
C21H36N4O5S (456.24062860000004)
Leu Pro Asn Asn
C19H32N6O7 (456.23323619999996)
Leu Pro Pro Met
C21H36N4O5S (456.24062860000004)
Leu Ser His Thr
C19H32N6O7 (456.23323619999996)
Leu Ser Thr His
C19H32N6O7 (456.23323619999996)
Leu Thr His Ser
C19H32N6O7 (456.23323619999996)
Leu Thr Ser His
C19H32N6O7 (456.23323619999996)
Met Ala His Val
Met Ala Val His
Met Gly His Ile
Met Gly His Leu
Met Gly Ile His
Met Gly Leu His
Met His Ala Val
Met His Gly Ile
Met His Gly Leu
Met His Ile Gly
Met His Leu Gly
Met His Val Ala
Met Ile Gly His
Met Ile His Gly
Met Ile Pro Pro
C21H36N4O5S (456.24062860000004)
Met Leu Gly His
Met Leu His Gly
Met Leu Pro Pro
C21H36N4O5S (456.24062860000004)
Met Pro Ile Pro
C21H36N4O5S (456.24062860000004)
Met Pro Leu Pro
C21H36N4O5S (456.24062860000004)
Met Pro Pro Ile
C21H36N4O5S (456.24062860000004)
Met Pro Pro Leu
C21H36N4O5S (456.24062860000004)
Met Val Ala His
Met Val His Ala
Asn Ala Pro Arg
Asn Ala Arg Pro
Asn Ile Asn Pro
C19H32N6O7 (456.23323619999996)
Asn Ile Pro Asn
C19H32N6O7 (456.23323619999996)
Asn Leu Asn Pro
C19H32N6O7 (456.23323619999996)
Asn Leu Pro Asn
C19H32N6O7 (456.23323619999996)
Asn Asn Ile Pro
C19H32N6O7 (456.23323619999996)
Asn Asn Leu Pro
C19H32N6O7 (456.23323619999996)
Asn Asn Pro Ile
C19H32N6O7 (456.23323619999996)
Asn Asn Pro Leu
C19H32N6O7 (456.23323619999996)
Asn Pro Ala Arg
Asn Pro Ile Asn
C19H32N6O7 (456.23323619999996)
Asn Pro Leu Asn
C19H32N6O7 (456.23323619999996)
Asn Pro Asn Ile
C19H32N6O7 (456.23323619999996)
Asn Pro Asn Leu
C19H32N6O7 (456.23323619999996)
Asn Pro Gln Val
C19H32N6O7 (456.23323619999996)
Asn Pro Arg Ala
Asn Pro Val Gln
C19H32N6O7 (456.23323619999996)
Asn Gln Pro Val
C19H32N6O7 (456.23323619999996)
Asn Gln Val Pro
C19H32N6O7 (456.23323619999996)
Asn Arg Ala Pro
Asn Arg Pro Ala
Asn Val Pro Gln
C19H32N6O7 (456.23323619999996)
Asn Val Gln Pro
C19H32N6O7 (456.23323619999996)
Pro Ala Asn Arg
Pro Ala Arg Asn
Pro Phe Pro Pro
Pro Gly Gln Arg
Pro Gly Arg Gln
Pro Ile Met Pro
C21H36N4O5S (456.24062860000004)
Pro Ile Asn Asn
C19H32N6O7 (456.23323619999996)
Pro Ile Pro Met
C21H36N4O5S (456.24062860000004)
Pro Leu Met Pro
C21H36N4O5S (456.24062860000004)
Pro Leu Asn Asn
C19H32N6O7 (456.23323619999996)
Pro Leu Pro Met
C21H36N4O5S (456.24062860000004)
Pro Met Ile Pro
C21H36N4O5S (456.24062860000004)
Pro Met Leu Pro
C21H36N4O5S (456.24062860000004)
Pro Met Pro Ile
C21H36N4O5S (456.24062860000004)
Pro Met Pro Leu
C21H36N4O5S (456.24062860000004)
Pro Asn Ala Arg
Pro Asn Ile Asn
C19H32N6O7 (456.23323619999996)
Pro Asn Leu Asn
C19H32N6O7 (456.23323619999996)
Pro Asn Asn Ile
C19H32N6O7 (456.23323619999996)
Pro Asn Asn Leu
C19H32N6O7 (456.23323619999996)
Pro Asn Gln Val
C19H32N6O7 (456.23323619999996)
Pro Asn Arg Ala
Pro Asn Val Gln
C19H32N6O7 (456.23323619999996)
Pro Pro Phe Pro
Pro Pro Ile Met
C21H36N4O5S (456.24062860000004)
Pro Pro Leu Met
C21H36N4O5S (456.24062860000004)
Pro Pro Met Ile
C21H36N4O5S (456.24062860000004)
Pro Pro Met Leu
C21H36N4O5S (456.24062860000004)
Pro Pro Pro Phe
Pro Gln Gly Arg
Pro Gln Asn Val
C19H32N6O7 (456.23323619999996)
Pro Gln Arg Gly
Pro Gln Val Asn
C19H32N6O7 (456.23323619999996)
Pro Arg Ala Asn
Pro Arg Gly Gln
Pro Arg Asn Ala
Pro Arg Gln Gly
Pro Val Asn Gln
C19H32N6O7 (456.23323619999996)
Pro Val Gln Asn
C19H32N6O7 (456.23323619999996)
Gln Gly Pro Arg
Gln Gly Arg Pro
Gln Asn Pro Val
C19H32N6O7 (456.23323619999996)
Gln Asn Val Pro
C19H32N6O7 (456.23323619999996)
Gln Pro Gly Arg
Gln Pro Asn Val
C19H32N6O7 (456.23323619999996)
Gln Pro Arg Gly
Gln Pro Val Asn
C19H32N6O7 (456.23323619999996)
Gln Arg Gly Pro
Gln Arg Pro Gly
Gln Val Asn Pro
C19H32N6O7 (456.23323619999996)
Gln Val Pro Asn
C19H32N6O7 (456.23323619999996)
Arg Ala Asn Pro
Arg Ala Pro Asn
Arg Gly Pro Gln
Arg Gly Gln Pro
Arg Asn Ala Pro
Arg Asn Pro Ala
Arg Pro Ala Asn
Arg Pro Gly Gln
Arg Pro Asn Ala
Arg Pro Gln Gly
Arg Gln Gly Pro
Arg Gln Pro Gly
Ser His Ile Thr
C19H32N6O7 (456.23323619999996)
Ser His Leu Thr
C19H32N6O7 (456.23323619999996)
Ser His Thr Ile
C19H32N6O7 (456.23323619999996)
Ser His Thr Leu
C19H32N6O7 (456.23323619999996)
Ser Ile His Thr
C19H32N6O7 (456.23323619999996)
Ser Ile Thr His
C19H32N6O7 (456.23323619999996)
Ser Leu His Thr
C19H32N6O7 (456.23323619999996)
Ser Leu Thr His
C19H32N6O7 (456.23323619999996)
Ser Thr His Ile
C19H32N6O7 (456.23323619999996)
Ser Thr His Leu
C19H32N6O7 (456.23323619999996)
Ser Thr Ile His
C19H32N6O7 (456.23323619999996)
Ser Thr Leu His
C19H32N6O7 (456.23323619999996)
Thr His Ile Ser
C19H32N6O7 (456.23323619999996)
Thr His Leu Ser
C19H32N6O7 (456.23323619999996)
Thr His Ser Ile
C19H32N6O7 (456.23323619999996)
Thr His Ser Leu
C19H32N6O7 (456.23323619999996)
Thr His Thr Val
C19H32N6O7 (456.23323619999996)
Thr His Val Thr
C19H32N6O7 (456.23323619999996)
Thr Ile His Ser
C19H32N6O7 (456.23323619999996)
Thr Ile Ser His
C19H32N6O7 (456.23323619999996)
Thr Leu His Ser
C19H32N6O7 (456.23323619999996)
Thr Leu Ser His
C19H32N6O7 (456.23323619999996)
Thr Ser His Ile
C19H32N6O7 (456.23323619999996)
Thr Ser His Leu
C19H32N6O7 (456.23323619999996)
Thr Ser Ile His
C19H32N6O7 (456.23323619999996)
Thr Ser Leu His
C19H32N6O7 (456.23323619999996)
Thr Thr His Val
C19H32N6O7 (456.23323619999996)
Thr Thr Val His
C19H32N6O7 (456.23323619999996)
Thr Val His Thr
C19H32N6O7 (456.23323619999996)
Thr Val Thr His
C19H32N6O7 (456.23323619999996)
Val Ala His Met
Val Ala Met His
Val Cys His Val
Val Cys Val His
Val His Ala Met
Val His Cys Val
Val His Met Ala
Val His Thr Thr
C19H32N6O7 (456.23323619999996)
Val His Val Cys
Val Met Ala His
Val Met His Ala
Val Asn Pro Gln
C19H32N6O7 (456.23323619999996)
Val Asn Gln Pro
C19H32N6O7 (456.23323619999996)
Val Pro Asn Gln
C19H32N6O7 (456.23323619999996)
Val Pro Gln Asn
C19H32N6O7 (456.23323619999996)
Val Gln Asn Pro
C19H32N6O7 (456.23323619999996)
Val Gln Pro Asn
C19H32N6O7 (456.23323619999996)
Val Thr His Thr
C19H32N6O7 (456.23323619999996)
Val Thr Thr His
C19H32N6O7 (456.23323619999996)
Val Val Cys His
Val Val His Cys
(4S)-3-[(2S,4S)-4-azido-4-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]-2-propan-2-ylbutanoyl]-4-benzyl-1,3-oxazolidin-2-one
3,6-BIS[[(1,1-DIMETHYLETHYL)DIMETHYLSILYL]OXY]-9H-XANTHEN-9-ONE
10-([1,1-Biphenyl]-4-yl)anthracen-9-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
C32H29BO2 (456.22604839999997)
Pipendoxifene
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 C1892 - Chemopreventive Agent
Aminophylline Dihydrate
C16H28N10O6 (456.21931880000005)
C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor
N-[1-[(1-amino-1-oxopropan-2-yl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N-hydroxy-2-(2-methylpropyl)butanediamide
7-(Furan-3-yl)-15-hydroxy-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadecane-5,13,19-trione
1-(5Z,8Z,11Z,14Z,17Z-Eicosapentaenoyl)-glycero-3-phosphoric acid
2-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-1-piperazinyl]-N-(4-ethoxyphenyl)acetamide
N-[2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(2-furanylmethyl)-5-phenyl-1H-pyrrole-2-carboxamide
N-[(S)-[(1S,2R)-1-methyl-2-[(2R)-1-oxo-1-[(phenylmethyl)amino]propan-2-yl]cyclopropyl]-phenylmethyl]carbamic acid (phenylmethyl) ester
3-[(1-cyclopentyl-5-tetrazolyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methyl]-7-methoxy-1H-quinolin-2-one
(2S)-2-[[(3,5-dimethoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-oxo-2-(4-propan-2-ylanilino)ethyl] ester
3-[3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-oxolanylmethyl)-5-tetrazolyl]methyl]-6-methyl-1H-quinolin-2-one
(4Z)-4-[(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)methylidene]-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-5-one
N(6)-lactobionoylhexane-1,6-diamine
A primary amide formed between lactobionic acid and hexane-1,6-diamine.
(2S,3S,3aR,9bR)-3-(hydroxymethyl)-6-oxo-7-[(E)-2-phenylethenyl]-N-(2-pyridin-4-ylethyl)-1,2,3,3a,4,9b-hexahydropyrrolo[2,3-a]indolizine-2-carboxamide
(2R,3R,3aS,9bS)-3-(hydroxymethyl)-6-oxo-7-[(E)-2-phenylethenyl]-N-(2-pyridin-4-ylethyl)-1,2,3,3a,4,9b-hexahydropyrrolo[2,3-a]indolizine-2-carboxamide
N-[(2R,3R)-4-[benzenesulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyloxane-4-carboxamide
C22H36N2O6S (456.22939560000003)
N-[(2R,3S)-4-[benzenesulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-4-oxanecarboxamide
C22H36N2O6S (456.22939560000003)
N-[(2S,3R)-4-[benzenesulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyloxane-4-carboxamide
C22H36N2O6S (456.22939560000003)
N-[(2R,3S)-4-[benzenesulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyloxane-4-carboxamide
C22H36N2O6S (456.22939560000003)
1-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea
1-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea
1-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(4-methoxyphenyl)urea
N-[(2R,3S,6R)-6-[2-[[(2,5-difluoroanilino)-oxomethyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-(4-morpholinyl)acetamide
C21H30F2N4O5 (456.21841539999997)
N-[(2S,3S,6R)-6-[2-[[(2,5-difluoroanilino)-oxomethyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-(4-morpholinyl)acetamide
C21H30F2N4O5 (456.21841539999997)
N-[(2S,3S,6S)-6-[2-[[(2,5-difluoroanilino)-oxomethyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-(4-morpholinyl)acetamide
C21H30F2N4O5 (456.21841539999997)
N-[(2S,3S)-4-[benzenesulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-4-oxanecarboxamide
C22H36N2O6S (456.22939560000003)
N-[(2S,3S)-4-[benzenesulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-4-oxanecarboxamide
C22H36N2O6S (456.22939560000003)
1-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea
1-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea
1-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea
1-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(4-methoxyphenyl)urea
N-[(2S,3R,6S)-6-[2-[[(2,5-difluoroanilino)-oxomethyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-(4-morpholinyl)acetamide
C21H30F2N4O5 (456.21841539999997)
N-[(2S,3R,6R)-6-[2-[[(2,5-difluoroanilino)-oxomethyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-(4-morpholinyl)acetamide
C21H30F2N4O5 (456.21841539999997)
N-[(2R,3R,6R)-6-[2-[[(2,5-difluoroanilino)-oxomethyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-(4-morpholinyl)acetamide
C21H30F2N4O5 (456.21841539999997)
N-[(2R,3S,6S)-6-[2-[[(2,5-difluoroanilino)-oxomethyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-(4-morpholinyl)acetamide
C21H30F2N4O5 (456.21841539999997)
N-[(2R,3R,6S)-6-[2-[[(2,5-difluoroanilino)-oxomethyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-(4-morpholinyl)acetamide
C21H30F2N4O5 (456.21841539999997)
N-[(2R,3R)-4-[benzenesulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-4-oxanecarboxamide
C22H36N2O6S (456.22939560000003)
N-[(2S,3R)-4-[benzenesulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-4-oxanecarboxamide
C22H36N2O6S (456.22939560000003)
(2S)-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-2-[[4-(2,5-dioxopyrrolidin-1-yl)-2-sulfanylbutanoyl]amino]-4-methylpentanamide
C21H36N4O5S (456.24062860000004)
1-Arachidonoylglycerone 3-phosphate
A 1-acylglycerone 3-phosphate in which the acyl group is specified as arachidonoyl.
(5S,12R)-dihydroxy-(6R)-cysteinyl-(7E,9E,14Z)-icosatrienoate
C23H38NO6S- (456.24197080000005)
methyl (1S,10R,11S,12S,19S)-11-acetyloxy-12-ethyl-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate
[1-[2,3-Dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-pentanoyloxypropan-2-yl] octanoate
C19H37O10P (456.21242320000005)
[1-Hydroxy-3-[hydroxy-(3-hydroxy-2-pentanoyloxypropoxy)phosphoryl]oxypropan-2-yl] octanoate
C19H37O10P (456.21242320000005)
[1-Hydroxy-3-[hydroxy-(3-hydroxy-2-propanoyloxypropoxy)phosphoryl]oxypropan-2-yl] decanoate
C19H37O10P (456.21242320000005)
[1-[2,3-Dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-propanoyloxypropan-2-yl] decanoate
C19H37O10P (456.21242320000005)
[1-Acetyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] undecanoate
C19H37O10P (456.21242320000005)
2-Arachidonoyl-sn-glycero-3-phosphate(2-)
A 2-acyl-sn-glycero-3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 2-arachidonoyl-sn-glycero-3-phosphate; major species at pH 7.3.
(E)-3,7,11,15-tetramethylhexadec-2-en-1-yl diphosphate
1-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-glycero-3-phosphate
phosphatidylglycerol 13:0
C19H37O10P (456.21242320000005)
A phosphatidylglycerol in which the two acyl groups contain 13 carbon atoms and no double bonds
1-Arachidonoyl-sn-glycerol 3-phosphate(2-)
A 1-acyl-sn-glycerol 3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 1-arachidonoyl-sn-glycero-3-phosphate.
(12R)-hydroxy-10,11-dihydroleukotriene E4(1-)
C23H38NO6S (456.24197080000005)
An icosanoid anion that is the conjugate base of (12R)-hydroxy-10,11-dihydroleukotriene E4, obtained by deprotonation of the carboxy group; major species at pH 7.3.
TAPI-0
TAPI-0 is a TACE (TNF-α converting enzyme; ADAM17) inhibitor with an IC50 of 100 nM. TAPI-0 is a MMP inhibitor and also attenuates TNF-α processing[1][2].
2-(2,4-dihydroxyphenyl)-7-hydroxy-6-[3-hydroxy-3-methyl-2-(3-methylbut-2-en-1-yl)butyl]-5-methoxy-2,3-dihydro-1-benzopyran-4-one
7-[2-(furan-3-yl)propyl]-8-methyl-9-[(2-methylbut-2-enoyl)oxy]-3-oxo-1h,5h,6h,6ah,8h,9h,10h-naphtho[4,4a-c]furan-7-carboxylic acid
2-[(acetyloxy)methyl]-3,5-dihydroxy-6-[(8-hydroxy-7-methyl-3-methylideneoct-6-en-1-yl)oxy]oxan-4-yl 2-methylbut-2-enoate
5,13,16,24-tetramethyl-9,20-dimethylidene-3,26-dioxanonacyclo[13.11.0.0¹,²³.0²,⁶.0²,¹⁴.0⁸,¹³.0¹⁰,¹².0¹⁶,²¹.0¹⁷,¹⁹]hexacosa-5,23-diene-4,25-dione
2,18-dimethyl (1r,9r,16r,18s,21s)-4,5-dimethoxy-2,12-diazahexacyclo[14.2.2.1⁹,¹².0¹,⁹.0³,⁸.0¹⁶,²¹]henicosa-3,5,7-triene-2,18-dicarboxylate
(2e,4e,6e)-1-{4-[(acetyloxy)methyl]-2,5-dioxo-7-oxabicyclo[4.1.0]hept-3-en-1-yl}-3,7,11-trimethyldodeca-2,4,6,10-tetraen-1-yl acetate
(6as,7s,8s,9s,10as)-7-[(2s)-2-(furan-3-yl)propyl]-8-methyl-9-{[(2z)-2-methylbut-2-enoyl]oxy}-3-oxo-1h,5h,6h,6ah,8h,9h,10h-naphtho[4,4a-c]furan-7-carboxylic acid
(1s,3as,4s,7r,8s,8bs)-4,7,8-trihydroxy-1-[(1s,2e)-1-hydroxy-2-methylhex-2-en-1-yl]-3a-methyl-7-(2-methylphenyl)-1h,4h,5h,8h,8bh-indeno[5,4-b]furan-2,6-dione
5-hydroxy-9,16-dimethyl-8-(6-oxopyran-3-yl)-15,17,20-trioxahexacyclo[14.3.1.1¹⁴,¹⁸.0¹,¹³.0⁴,¹².0⁵,⁹]henicosane-13-carbaldehyde
1-{2,4-dihydroxy-3-[5-hydroxy-5-methyl-2-(prop-1-en-2-yl)hexyl]-6-methoxyphenyl}-3-(2,4-dihydroxyphenyl)prop-2-en-1-one
7,8-dihydroxy-1,1,4a-trimethyl-6-methylidene-5-{[(2-oxochromen-7-yl)oxy]methyl}-hexahydro-2h-naphthalen-2-yl acetate
(2e)-1-{2,4-dihydroxy-3-[(2s)-5-hydroxy-5-methyl-2-(prop-1-en-2-yl)hexyl]-6-methoxyphenyl}-3-(2,4-dihydroxyphenyl)prop-2-en-1-one
assafoetidnol b
{"Ingredient_id": "HBIN017163","Ingredient_name": "assafoetidnol b","Alias": "NA","Ingredient_formula": "C26H32O7","Ingredient_Smile": "CC(=O)OC1CCC2(C(C(=C)C(C(C2C1(C)C)O)O)COC3=CC4=C(C=C3)C=CC(=O)O4)C","Ingredient_weight": "456.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1911","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "636584","DrugBank_id": "NA"}
(2e)-1-{2,4-dihydroxy-3-[(2r)-5-hydroxy-5-methyl-2-(prop-1-en-2-yl)hexyl]-6-methoxyphenyl}-3-(2,4-dihydroxyphenyl)prop-2-en-1-one
5,11,16-trihydroxy-11,21-diisopropyl-7,18-dimethylpentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁵,²⁰]docosa-1(14),2,4,6,8,12,15,17,19-nonaen-10-one
methyl (1r,9s,10s,12r,19s)-11-(acetyloxy)-12-ethyl-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.0¹,⁹.0²,⁷.0¹⁶,¹⁹]nonadeca-2,4,6,13-tetraene-10-carboxylate
3-[8-(2-carboxyethyl)-3,6,9,12-tetrahydroxy-5,11-diisopropyl-1,4,7,10-tetraazacyclododeca-1(12),3,6,9-tetraen-2-yl]propanoic acid
C20H32N4O8 (456.22200319999996)
methyl 6-[3',3'-dimethyl-5'-(2-methylprop-1-en-1-yl)-3h-spiro[1,4-benzodioxine-2,2'-[1,4]dioxolan]-7-yl]-2-(methoxymethylidene)-3-methylhexa-3,5-dienoate
(10s,21s)-5,10,16-trihydroxy-10,21-diisopropyl-7,18-dimethylpentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁵,²⁰]docosa-1,3(12),4,6,8,13,15,17,19-nonaen-11-one
methyl 16-acetyl-16-hydroxy-2,6,6,11,14-pentamethyl-17-methylidene-8,15-dioxo-7-oxatetracyclo[12.2.1.0²,¹².0⁵,¹⁰]heptadeca-4,10-diene-1-carboxylate
9-hydroxy-5,10-dimethoxy-11-(3-methoxy-3-methylbutyl)-2,2-dimethyl-3,4-dihydro-1,7-dioxatetraphen-12-one
2-(2,4-dihydroxyphenyl)-5-hydroxy-8-[5-hydroxy-5-methyl-2-(prop-1-en-2-yl)hexyl]-7-methoxy-2,3-dihydro-1-benzopyran-4-one
(2s)-5,7-dihydroxy-2-(4-hydroxy-2-methoxyphenyl)-8-[(2r,3r)-4-hydroxy-3-methyl-2-(3-methylbut-2-en-1-yl)butyl]-2,3-dihydro-1-benzopyran-4-one
methyl (2e,3z,5e)-6-{4,4-dimethyl-3-[(3-methylbut-2-enoyl)oxy]-2,3-dihydro-1,5-benzodioxepin-7-yl}-2-(methoxymethylidene)-3-methylhexa-3,5-dienoate
(1s,2r,4s,7r,8s,11r,12r,18r,20r)-7-(furan-3-yl)-20-hydroxy-1,8,12,17,17-pentamethyl-3,6,16-trioxapentacyclo[9.9.0.0²,⁴.0²,⁸.0¹²,¹⁸]icos-13-ene-5,15-dione
3-[(2r,5r,8r,11r)-8-(2-carboxyethyl)-3,6,9,12-tetrahydroxy-5,11-diisopropyl-1,4,7,10-tetraazacyclododeca-1(12),3,6,9-tetraen-2-yl]propanoic acid
C20H32N4O8 (456.22200319999996)