Exact Mass: 424.1998
Exact Mass Matches: 424.1998
Found 500 metabolites which its exact mass value is equals to given mass value 424.1998
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Dihydrovaltrate
Didrovaltratum is an iridoid monoterpenoid. Didrovaltrate is a natural product found in Valeriana pulchella, Fedia cornucopiae, and other organisms with data available. See also: Viburnum opulus bark (has part). Isolated from Valeriana subspecies Dihydrovaltrate is found in tea, fats and oils, and herbs and spices. Dihydrovaltrate is found in fats and oils. Dihydrovaltrate is isolated from Valeriana specie C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic
Benazepril
Benazepril, brand name Lotensin, is a medication used to treat high blood pressure (hypertension), congestive heart failure, and chronic renal failure. Upon cleavage of its ester group by the liver, benazepril is converted into its active form benazeprilat, a non-sulfhydryl angiotensin-converting enzyme (ACE) inhibitor. C - Cardiovascular system > C09 - Agents acting on the renin-angiotensin system > C09A - Ace inhibitors, plain > C09AA - Ace inhibitors, plain D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D000806 - Angiotensin-Converting Enzyme Inhibitors C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent C471 - Enzyme Inhibitor > C783 - Protease Inhibitor > C247 - ACE Inhibitor D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents
toxin HT 2
HT-2 toxin is a trichothecene mycotoxin that is T-2 toxin in which the acetyloxy group at position 4S has been hydrolysed to the corresponding hydroxy group. It is the major metabolite of T-2 toxin. It has a role as a fungal metabolite and an apoptosis inducer. It is a trichothecene, an organic heterotetracyclic compound and an acetate ester. HT-2 Toxin is a natural product found in Fusarium heterosporum, Fusarium sporotrichioides, and other organisms with data available. A trichothecene mycotoxin that is T-2 toxin in which the acetyloxy group at position 4S has been hydrolysed to the corresponding hydroxy group. It is the major metabolite of T-2 toxin. D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate
Sophoraflavanone G
Sophoraflavanone G (Kushenol F) is iaolated from Sophora flavescens and shows anti-tumor and anti-inflammatory properties.? Sophoraflavanone G (Kushenol F) induces MDA-MB-231 and HL-60 cells apoptosis through suppression of MAPK-related pathways. Sophoraflavanone G. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=97938-30-2 (retrieved 2024-10-11) (CAS RN: 97938-30-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
beta-Mangostin
Beta-Mangostin is a member of xanthones. beta-Mangostin is a natural product found in Garcinia oliveri, Garcinia cowa, and other organisms with data available. From Garcinia mangostana (mangosteen). beta-Mangostin is found in fruits and purple mangosteen. beta-Mangostin is found in fruits. beta-Mangostin is from Garcinia mangostana (mangosteen). beta-Mangostin (β-Mangostin) is a xanthone compound present in Cratoxylum arborescens, with antibacterial and antimalarial activities. beta-Mangostin exhibits antimycobacterial activity against Mycobacterium tuberculosis with an MIC of 6.25 μg/mL. beta-Mangostin possesses in vitro antimalarial activity against Plasmodium falciparum, with an IC50 of 3.00 μg/mL. beta-Mangostin has potent anticancer activity against various cancers (such as hepatocellular carcinoma, leukaemic)[1][2][3][4]. beta-Mangostin (β-Mangostin) is a xanthone compound present in Cratoxylum arborescens, with antibacterial and antimalarial activities. beta-Mangostin exhibits antimycobacterial activity against Mycobacterium tuberculosis with an MIC of 6.25 μg/mL. beta-Mangostin possesses in vitro antimalarial activity against Plasmodium falciparum, with an IC50 of 3.00 μg/mL. beta-Mangostin has potent anticancer activity against various cancers (such as hepatocellular carcinoma, leukaemic)[1][2][3][4].
(S)-3',4',5,7-Tetrahydroxy-5',8-diprenylflavanone
(S)-3,4,5,7-Tetrahydroxy-5,8-diprenylflavanone is found in herbs and spices. (S)-3,4,5,7-Tetrahydroxy-5,8-diprenylflavanone is isolated from Glycyrrhiza uralensis (Chinese licorice). Isolated from Glycyrrhiza uralensis (Chinese licorice). Gancaonin E is found in herbs and spices.
Dulxanthone C
Dulxanthone C is found in fruits. Dulxanthone C is a constituent of the stem bark of Garcinia dulcis (mundu)
8beta-Angeloyloxy-15-hydroxy-1alpha,10R-dimethoxy-3-oxo-11(13)-germacren-12,6alpha-olide
8beta-Angeloyloxy-15-hydroxy-1alpha,10R-dimethoxy-3-oxo-11(13)-germacren-12,6alpha-olide is found in fats and oils. 8beta-Angeloyloxy-15-hydroxy-1alpha,10R-dimethoxy-3-oxo-11(13)-germacren-12,6alpha-olide is a constituent of Helianthus annuus (sunflower). Constituent of Helianthus annuus (sunflower). 8beta-Angeloyloxy-15-hydroxy-1alpha,10R-dimethoxy-3-oxo-11(13)-germacren-12,6alpha-olide is found in fats and oils.
Glisoflavanone
(±)-Glisoflavanone is found in herbs and spices. (±)-Glisoflavanone is a constituent of Glycyrrhiza uralensis (Chinese licorice). Constituent of Glycyrrhiza uralensis (Chinese licorice). (±)-Glisoflavanone is found in herbs and spices.
1,7-Dihydroxy-3,6-dimethoxy-2,8-diprenylxanthone
1,7-Dihydroxy-3,6-dimethoxy-2,8-diprenylxanthone is found in fruits. 1,7-Dihydroxy-3,6-dimethoxy-2,8-diprenylxanthone is a constituent of Garcinia mangostana (mangosteen). Constituent of Garcinia mangostana (mangosteen). 1,7-Dihydroxy-3,6-dimethoxy-2,8-diprenylxanthone is found in fruits.
(±)-2',4',5,7-Tetrahydroxy-3',8-diprenylisoflavanone
(±)-2,4,5,7-Tetrahydroxy-3,8-diprenylisoflavanone is found in herbs and spices. (±)-2,4,5,7-Tetrahydroxy-3,8-diprenylisoflavanone is isolated from Phaseolus lunatus (butter bean) seedlings under stress and from Glycyrrhiza glabra (licorice Isolated from Phaseolus lunatus (butter bean) seedlings under stress and from Glycyrrhiza glabra (licorice). (±)-2,4,5,7-Tetrahydroxy-3,8-diprenylisoflavanone is found in tea, herbs and spices, and pulses.
3-Methyl-2-butenyl-(-)-piperitol
3-Methyl-2-butenyl-(-)-piperitol is found in herbs and spices. 3-Methyl-2-butenyl-(-)-piperitol is a constituent of Zanthoxylum piperitum (Japanese pepper tree). Constituent of Zanthoxylum piperitum (Japanese pepper tree). 3-Methyl-2-butenyl-(-)-piperitol is found in herbs and spices.
Delapril diacid
Pibenzimol
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C1748 - Topoisomerase Inhibitor C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics D004396 - Coloring Agents > D005456 - Fluorescent Dyes
HT-2 Toxin
Sophoraflavanone G
Sophoraflavanone G (Kushenol F) is iaolated from Sophora flavescens and shows anti-tumor and anti-inflammatory properties.? Sophoraflavanone G (Kushenol F) induces MDA-MB-231 and HL-60 cells apoptosis through suppression of MAPK-related pathways[1][2]. Sophoraflavanone G (Kushenol F) is iaolated from Sophora flavescens and shows anti-tumor and anti-inflammatory properties.? Sophoraflavanone G (Kushenol F) induces MDA-MB-231 and HL-60 cells apoptosis through suppression of MAPK-related pathways[1][2].
Lys-Asp-Tyr
Cowaxanthone B
Cowaxanthone B is a natural product found in Garcinia cowa and Cratoxylum arborescens with data available.
Kuwanon E
Kuwanon E is a member of flavanones. 4H-1-Benzopyran-4-one, 2-(5-((2E)-3,7-dimethyl-2,6-octadienyl)-2,4-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-, (2S)- is a natural product found in Morus lhou, Morus mongolica, and other organisms with data available.
Sophoraflavanone_G
Sophoraflavanone G is a tetrahydroxyflavanone having a structure of naringenin bearing an additional hydroxyl substituent at position 2 as well as a (2R)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl (lavandulyl) substituent at position 8. It has a role as an antioxidant, an antimalarial, an antimicrobial agent and a plant metabolite. It is a tetrahydroxyflavanone, a member of 4-hydroxyflavanones and a (2S)-flavan-4-one. It is functionally related to a (S)-naringenin. Sophoraflavanone G is a natural product found in Sophora stenophylla, Sophora moorcroftiana, and other organisms with data available. A tetrahydroxyflavanone having a structure of naringenin bearing an additional hydroxyl substituent at position 2 as well as a (2R)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl (lavandulyl) substituent at position 8. Sophoraflavanone G (Kushenol F) is iaolated from Sophora flavescens and shows anti-tumor and anti-inflammatory properties.? Sophoraflavanone G (Kushenol F) induces MDA-MB-231 and HL-60 cells apoptosis through suppression of MAPK-related pathways[1][2]. Sophoraflavanone G (Kushenol F) is iaolated from Sophora flavescens and shows anti-tumor and anti-inflammatory properties.? Sophoraflavanone G (Kushenol F) induces MDA-MB-231 and HL-60 cells apoptosis through suppression of MAPK-related pathways[1][2].
FLLL-31
Tetramethylcurcumin (FLLL31), derived from curcumin, specifically suppresses the phosphorylation of STAT3 by binding selectively to Janus kinase 2 and the STAT3 Src homology-2 domain. Tetramethylcurcumin exhibits anti-inflammatory and anti-cancer effects[1][2].
arugosin B
A dibenzooxepine that is dibenzo[b,e]oxepin-11(6H)-one substituted by hydroxy groups at positions 1, 6 and 10, a methyl group at position 8, a prenyl group at position 4 and a prenyloxy group at position 7. Isolated from Aspergillus, it exhibits antibacterial activity.
24-Dihydroxy-5-(1,1-dimethylallyl)-6-C-prenylpinocembrin
Tetrapterol G
Lonchocarpol D1
[(2R,3R,4S,5S,6R)-2-(acetyloxymethyl)-3,5-dihydroxy-6-[(2S,3R)-2,3,4-trihydroxybutoxy]oxan-4-yl] hexanoate
(1S,5S,6R,7R,8R,9S,10S,11R)-8,9-epoxy-1-ethoxy-2-oxo-5-angeloxyxanthan-6,12-olide
(3beta,6beta,10beta)-3-acetyl-8,10-dihydroxy-6-(2-methyl-1-oxobutoxy)eremophil-7(11)-eno-12,8-lactone|(4S,4aS,5R,6S,8aS,9aS)-6-(acetyloxy)-2,4,4a,5,6,7,8,8a,9,9a-decahydro-8a,9a-dihydroxy-3,4a,5-trimethylnaphtho[2,3-b]furan-4-yl 2-methylbutanoate|6beta-(2-methylbutanoyloxy)-3beta-acetoxy-8beta,10beta-dihydroxyeremophil-7(11)-en-12,8-olide
(E)-2-hexenyl beta-D-sophoriside|(E)-2-Hexenyl-??-D-glucopyranosyl-(1鈥樏傗垎 2)-??-D-glucopyranoside
brasiliamide D|cis-1,4-diacetyl-2-benzyl-5-(3-methoxy-4,5-methylenedioxybenzyl)piperazine
4-O-acetyl-6beta,9beta-dihydroxypulchellin-2-O-<2-methylbutyrate>
N(1)-methoxycarbonyl-12-methoxy-Delta16,17-kopsinine
19-Ac-9, 13-Epidioxy-2, 6, 19-trihydroxy-8(17)-labden-15, 16-olide
3-Methylbutanoic acid 4-((acetyloxy)methyl)-4a,5,6,7a-tetrahydrospiro(cyclopenta(c)pyran-7(1H),2-oxirane)-1,6-diyl ester
12-Methoxy-(-)-Kopsijasmine|N-methoxycarbonyl-12-methoxy-Delta16,17-kopsinine|N1-methoxycarbonyl-12-methoxy-Delta16,17-kopsinine
(Z)-3-hexenyl O-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside
Didrovaltrate
9-O-desacetylspathulin-2-O-2-methylbutanoate|gaigrandin
4-O-acetyl-6beta,9beta-dihydroxypulchellin-2-O-isovalerate
(17R,19E)-17-acetoxy-1-acetyl-17,18-epoxy-11-methoxy-cur-19-ene|Condensamin|condensamine|Isocondensamin|isocondensamine
8beta-angeloyloxy-3beta,10beta-epoxy-3alpha-ethoxy-1beta,15-dihydroxy-4beta-H-germacran-11(13)-en-6alpha,12-olide|helivypolide J
8beta-acetoxy-3beta-isobutyryloxy-5alpha-hydroperoxycostic acid methyl ester
C22H32O8_(3beta,4alpha,8alpha)-15-Acetoxy-3,4-dihydroxy-12,13-epoxytrichothec-9-en-8-yl 3-methylbutanoate
C18H32O11_(2E)-4-Hydroxy-3,4-dimethyl-2-penten-1-yl 6-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranoside
C22H32O8_(1S,4aS,6S,7R,7aS)-6-Acetoxy-4-{[(3-methylbutanoyl)oxy]methyl}-4a,5,6,7a-tetrahydro-1H-spiro[cyclopenta[c]pyran-7,2-oxiran]-1-yl 3-methylbutanoate
Benazepril
C - Cardiovascular system > C09 - Agents acting on the renin-angiotensin system > C09A - Ace inhibitors, plain > C09AA - Ace inhibitors, plain D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D000806 - Angiotensin-Converting Enzyme Inhibitors C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent C471 - Enzyme Inhibitor > C783 - Protease Inhibitor > C247 - ACE Inhibitor D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents
[(1S,6S,7R)-6-acetyloxy-1-(3-methylbutanoyloxy)spiro[4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7,2-oxirane]-4-yl]methyl 3-methylbutanoate
Novacine
A monoterpenoid indole alkaloid with formula C24H28N2O3, originallly isolated from the seeds of Strychnos nux-vomica.
HT-2 Toxin
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins CONFIDENCE Reference Standard (Level 1)
Ala Ala Thr Tyr
Ala Ala Tyr Thr
Ala Phe Ser Thr
Ala Phe Thr Ser
Ala His Pro Thr
Ala His Thr Pro
Ala Pro His Thr
Ala Pro Thr His
Ala Ser Phe Thr
Ala Ser Thr Phe
Ala Thr Ala Tyr
Ala Thr Phe Ser
Ala Thr His Pro
Ala Thr Pro His
Ala Thr Ser Phe
Ala Thr Tyr Ala
Ala Tyr Ala Thr
Ala Tyr Thr Ala
Asp Pro Pro Pro
Phe Ala Ser Thr
Phe Ala Thr Ser
Phe Gly Thr Thr
Phe Ser Ala Thr
Phe Ser Thr Ala
Phe Thr Ala Ser
Phe Thr Gly Thr
Phe Thr Ser Ala
Phe Thr Thr Gly
Gly Phe Thr Thr
Gly Ser Val Tyr
Gly Ser Tyr Val
Gly Thr Phe Thr
Gly Thr Thr Phe
Gly Val Ser Tyr
Gly Val Tyr Ser
Gly Tyr Ser Val
Gly Tyr Val Ser
His Ala Pro Thr
His Ala Thr Pro
His Pro Ala Thr
His Pro Thr Ala
His Thr Ala Pro
His Thr Pro Ala
Pro Ala His Thr
Pro Ala Thr His
Pro Asp Pro Pro
Pro His Ala Thr
Pro His Thr Ala
Pro Pro Asp Pro
Pro Pro Pro Asp
Pro Thr Ala His
Pro Thr His Ala
Ser Ala Phe Thr
Ser Ala Thr Phe
Ser Phe Ala Thr
Ser Phe Thr Ala
Ser Gly Val Tyr
Ser Gly Tyr Val
Ser Thr Ala Phe
Ser Thr Phe Ala
Ser Val Gly Tyr
Ser Val Tyr Gly
Ser Tyr Gly Val
Ser Tyr Val Gly
Thr Ala Ala Tyr
Thr Ala Phe Ser
Thr Ala His Pro
Thr Ala Pro His
Thr Ala Ser Phe
Thr Ala Tyr Ala
Thr Phe Ala Ser
Thr Phe Gly Thr
Thr Phe Ser Ala
Thr Phe Thr Gly
Thr Gly Phe Thr
Thr Gly Thr Phe
Thr His Ala Pro
Thr His Pro Ala
Thr Pro Ala His
Thr Pro His Ala
Thr Ser Ala Phe
Thr Ser Phe Ala
Thr Thr Phe Gly
Thr Thr Gly Phe
Thr Tyr Ala Ala
Val Gly Ser Tyr
Val Gly Tyr Ser
Val Ser Gly Tyr
Val Ser Tyr Gly
Val Tyr Gly Ser
Val Tyr Ser Gly
Tyr Ala Ala Thr
Tyr Ala Thr Ala
Tyr Gly Ser Val
Tyr Gly Val Ser
Tyr Ser Gly Val
Tyr Ser Val Gly
Tyr Thr Ala Ala
Tyr Val Gly Ser
Tyr Val Ser Gly
8b-Angeloyloxy-15-hydroxy-1a,10R-dimethoxy-3-oxo-11(13)-germacren-12,6a-olide
1,7-Dihydroxy-3,6-dimethoxy-2,8-diprenylxanthone
FA 22:6;O6
2,2-dimethylpropane-1,3-diol,ethane-1,2-diol,propane-1,2,3-triol,terephthalic acid
α,α,α-Tris(4-hydroxyphenyl)-1-ethyl-4-isopropylbenzene
[5-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
sodium 2-[2-[2-(octylphenoxy)ethoxy]ethoxy]ethanesulphonate
sodium 2-[2-[2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethoxy]ethanesulphonate
L-VALINE,N-[(1,2-DIMETHYLETHOXY)CARBONYL]-2-[(2-AMINO-1,6-DIHYDRO-6-OXO-9H-PURIN-9-YL)METHYOXY]ETHYLESTER
Unii-QI52W1ziib
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor > C155764 - AKT Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor
nymphaeol B
A tetrahydroxyflavanone that is (2S)-flavanone substituted by hydroxy group at positions 5, 7, 3 and 4 and a geranyl group at position 2. Isolated from Macaranga tanarius and propolis collected in Okinawa, it exhibits radical scavenging activity.
2-[3-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid
(8R)-8-[[3,6-Dideoxy-4-O-(4-hydroxybenzoyl)-alpha-L-arabino-hexopyranosyl]oxy]nonanoic acid
7-Hydroxy-8-[[4-(2-hydroxyethyl)-1-piperazinyl]methyl]-3-(2-methoxyphenyl)-2-methyl-1-benzopyran-4-one
3-[3-(N-ethylanilino)propyl]-6-(4-morpholinyl)-2-sulfanylidene-1H-quinazolin-4-one
6-(4-{(1S,2S)-2-Amino-1-[(dimethylamino)carbonyl]-3-[(3S)-3-fluoropyrrolidin-1-YL]-3-oxopropyl}phenyl)-1H-[1,2,4]triazolo[1,5-A]pyridin-4-ium
N-[2-(dimethylamino)ethyl]-4-(6-phenylthieno[3,2-d]pyrimidin-4-yl)-1,4-diazepane-1-carboxamide
2-(3,5-Dihydroxyphenyl)-5,7-dihydroxy-6,8-bis(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Nymphaeol A
A tetrahydroxyflavanone that is (2S)-flavanone substituted by hydroxy group at positions 5, 7, 3 and 4 and a geranyl group at position 6. Isolated from Macaranga tanarius and propolis collected in Okinawa, it exhibits radical scavenging activity.
[(2R,4S,10R,11S)-2-(acetyloxymethyl)-10,11-dihydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2-oxirane]-4-yl] 3-methylbutanoate
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
(2S,3S,6R)-3-[[(3S)-3-azaniumyl-5-[diaminomethylidene(methyl)azaniumyl]pentanoyl]amino]-6-(2,4-dioxopyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylate
[(3S)-3-amino-5-[[(2S,3S,6R)-2-carboxy-6-(2,4-dioxopyrimidin-1-yl)-3,6-dihydro-2H-pyran-3-yl]amino]-5-oxopentyl]-(diaminomethylidene)-methylazanium
(2S)-5,7,3,5-tetrahydroxy-8-[3,8-dimethylocta-2(E),7-dienyl]flavonone
A tetrahydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 5, 7, 3 and 5 and a geranyl group at position 8. Isolated from Macaranga bicolor, it exhibits inhibitory activity against breast cancer resistance protein.
Isonymphaeol B
A tetrahydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 5, 7, 3 and 4 and a geranyl group at position 5. Isolated from Propolis from Okinawa, Japan, it exhibits radical scavenging activity.
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-cyclohexylmethylidene]-5-(4-ethoxyphenyl)-1H-1,2,3-triazole-4-carbohydrazide
Ala-Phe-Thr-Ser
A tetrapeptide composed of L-alanine, L-phenylalanine, L-threonine, and L-serine joined in sequence by peptide linkages.
1-[(1-Cyclopentyl-5-tetrazolyl)-thiophen-2-ylmethyl]-4-(2-methoxyphenyl)piperazine
3-(4-methoxyphenyl)-2-(4-methyl-1-piperazinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[2,3]thieno[2,4-b]pyrimidin-4-one
Ethyl 1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-1-phenylethyl]piperidine-4-carboxylate
1-(5,6-Dihydrobenzo[b][1]benzazepin-11-yl)-2-[5-[4-(dimethylamino)phenyl]-2-tetrazolyl]ethanone
1,7-Bis(3,4-dimethoxyphenyl)-4,4-dimethylhepta-1,6-diene-3,5-dione
(1S,5R)-7-[4-(3-cyanophenyl)phenyl]-N-(2-methoxyphenyl)-3,6-diazabicyclo[3.1.1]heptane-3-carboxamide
(1R)-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1-spiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]carboxamide
(1S)-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1-spiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]carboxamide
arugosin A (hydroxy-aldehyde form)
A member of the class of benzophenones that is benzophenone in which one of the phenyl groups is substituted by a 3,3-dimethylallyl group at position 3 and by hydroxy groups at positions 2 and 6, while the other is substituted by a formyl group at position 2, a 3,3-dimethylallyloxy group at position 3, a methyl group at position 4, and a hydroxy group at position 6.
[3-amino-5-[[(2S,3S,6R)-2-carboxy-6-(2,4-dioxopyrimidin-1-yl)-3,6-dihydro-2H-pyran-3-yl]amino]-5-oxopentyl]-(diaminomethylidene)-methylazanium
(1S,6S,7R)-6-(Acetyloxy)-1-[(3-methylbutanoyl)oxy]-4A,5,6,7A-tetrahydro-1H-spiro[cyclopenta[C]pyran-7,2-oxiran]-4-ylmethyl 3-methylbutanoate
Didrovaltrat
Didrovaltratum is an iridoid monoterpenoid. Didrovaltrate is a natural product found in Valeriana pulchella, Fedia cornucopiae, and other organisms with data available. See also: Viburnum opulus bark (has part). C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic
Pibenzimol
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C1748 - Topoisomerase Inhibitor C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics D004396 - Coloring Agents > D005456 - Fluorescent Dyes
Lys-Asp-Tyr
A tripeptide composed of L-lysine, L-aspartic acid and L-tyrosine joined in sequence by peptide linkages.
8beta-Angeloyloxy-15-hydroxy-1alpha,10R-dimethoxy-3-oxo-11(13)-germacren-12,6alpha-olide
4-(5-((1E,3E,6Z,9Z)-dodeca-1,3,6,9-tetraen-1-yl)-[3,3-bi(1,2-dioxolan)]-5-yl)-4-hydroperoxybutanoic acid
(S)-2-(3,5-dihydroxyphenyl)-5,7-dihydroxy-6,8-bis(3-methylbut-2-enyl)chroman-4-one
A tetrahydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 5, 7, 3 and 5 and prenyl groups at positions 6 and 8 respectively. It has been isolated from natural product found in Macaranga conifera.
deaminohydroxyblasticidin S(1+)
Conjugate acid of deaminohydroxyblasticidin S having an anionic carboxy group and protonated primary amino and guanidino groups; major species at pH 7.3.
5-LOX-IN-4
5-LOX-IN-4 is a 5-Lipoxygenase inhibitor extracted from patent EP 331232 A2, table 4, compound example 4.10.
(2s)-2-(2,4-dihydroxyphenyl)-8-[(2z)-3,7-dimethylocta-2,6-dien-1-yl]-5,7-dihydroxy-2,3-dihydro-1-benzopyran-4-one
(1r,4s,4as,5s,5's,7s,8as)-4,7-dihydroxy-5,8a-dimethyl-2-methylidene-5''-oxo-hexahydrodispiro[naphthalene-1,2'-[1,6]dioxane-5',3''-oxolan]-5-ylmethyl acetate
3-(2,4-dihydroxyphenyl)-8-[(2z)-3,7-dimethylocta-2,6-dien-1-yl]-5,7-dihydroxy-2,3-dihydro-1-benzopyran-4-one
7,11-dihydroxy-17-(2-hydroxypropan-2-yl)-13-methyl-6-(3-methylbut-2-en-1-yl)-2,15-dioxatetracyclo[8.7.1.0³,⁸.0¹⁴,¹⁸]octadeca-3,5,7,10,12,14(18)-hexaen-9-one
(2s)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6,8-bis[(1e)-3-methylbut-1-en-1-yl]-2,3-dihydro-1-benzopyran-4-one
(1s,4as,6s,7r,7as)-6-(acetyloxy)-4-[(4-methyl-2-oxopentyl)oxy]-4a,5,6,7a-tetrahydro-1h-spiro[cyclopenta[c]pyran-7,2'-oxiran]-1-yl 3-methylbutanoate
(2r,3s,4s,5r,6s)-2-({[(2e,6s)-6-hydroxy-2,6-dimethylocta-2,7-dien-1-yl]oxy}methyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol
(2r,9s,13s,15r,17r,25r)-21,22-dimethoxy-17-methyl-12,19-dioxa-5,16-diazaheptacyclo[14.7.1.1²,⁵.0²,¹⁵.0⁹,¹³.0²⁰,²⁴.0⁹,²⁵]pentacosa-1(24),7,20,22-tetraen-11-one
methyl 6-(3-hydroxy-1-methoxy-1-oxononan-2-yl)phenazine-1-carboxylate
(3r)-3-{5-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-2,4-dihydroxyphenyl}-5,7-dihydroxy-2,3-dihydro-1-benzopyran-4-one
5,7-dihydroxy-2-[3-hydroxy-2,2-dimethyl-8-(3-methylbut-2-en-1-yl)-3,4-dihydro-1-benzopyran-6-yl]-2,3-dihydro-1-benzopyran-4-one
10-(hydroxymethyl)-6,7-dimethoxy-6-methyl-3-methylidene-2,9-dioxo-octahydrocyclodeca[b]furan-4-yl 2-methylbut-2-enoate
(2s)-2-(2,4-dihydroxyphenyl)-8-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-5,7-dihydroxy-2,3-dihydro-1-benzopyran-4-one
(2r,11r,16s,17s)-17-methyl-17-(4-methylpent-3-en-1-yl)-4,12,18-trioxapentacyclo[11.8.0.0²,¹¹.0⁵,¹⁰.0¹⁴,¹⁹]henicosa-1(21),5,7,9,13,19-hexaene-7,16,20-triol
(1r,9s,10s,12s,13z,15s,16s,17r,18s)-18-(acetyloxy)-13-ethylidene-17-(methoxycarbonyl)-8-methyl-8,15-diazahexacyclo[14.2.1.0¹,⁹.0²,⁷.0¹⁰,¹⁵.0¹²,¹⁷]nonadeca-2,4,6-trien-15-ium-15-olate
(2s)-5,7-dihydroxy-2-[4-hydroxy-3-(2-hydroxy-3-methylbut-3-en-1-yl)-5-(3-methylbut-2-en-1-yl)phenyl]-2,3-dihydro-1-benzopyran-4-one
(2z)-3-hydroxy-1-[(2s)-6-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]prop-2-en-1-one
(1s,17s)-7,11-dihydroxy-17-(2-hydroxypropan-2-yl)-13-methyl-6-(3-methylbut-2-en-1-yl)-2,15-dioxatetracyclo[8.7.1.0³,⁸.0¹⁴,¹⁸]octadeca-3,5,7,10,12,14(18)-hexaen-9-one
3-(2,4-dihydroxyphenyl)-3,7-dihydroxy-6,8-bis(3-methylbut-2-en-1-yl)-2h-1-benzopyran-4-one
(2-{[(1r,2s,4as)-1,2,4a-trimethyl-5-methylidene-hexahydro-2h-naphthalen-1-yl]methyl}-6-hydroxy-4-(hydroxymethyl)phenyl)oxidanesulfonic acid
methyl (1s,14s,15z,18s)-18-[(acetyloxy)methyl]-15-ethylidene-17-methyl-12-oxo-10,17-diazatetracyclo[12.3.1.0³,¹¹.0⁴,⁹]octadeca-3(11),4,6,8-tetraene-18-carboxylate
(3s)-3-(2,4-dihydroxyphenyl)-8-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-5,7-dihydroxy-2,3-dihydro-1-benzopyran-4-one
(4s,12r)-8-hydroxy-12-(4-hydroxyphenyl)-4-(2-hydroxypropan-2-yl)-7-(3-methylbut-2-en-1-yl)-5,13-dioxatricyclo[7.4.0.0²,⁶]trideca-1(9),2(6),7-trien-10-one
(2s)-2-{5-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-2,4-dihydroxyphenyl}-5,7-dihydroxy-2,3-dihydro-1-benzopyran-4-one
21,22-dimethoxy-17-methyl-12,19-dioxa-5,16-diazaheptacyclo[14.7.1.1²,⁵.0²,¹⁵.0⁹,¹³.0²⁰,²⁴.0⁹,²⁵]pentacosa-1(24),7,20,22-tetraen-11-one
methyl 12-[1-(acetyloxy)ethyl]-5-methoxy-8,16-diazapentacyclo[10.6.1.0¹,⁹.0²,⁷.0¹⁶,¹⁹]nonadeca-2,4,6,9,13-pentaene-10-carboxylate
(3s)-3-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6,8-bis(3-methylbut-2-en-1-yl)-2,3-dihydro-1-benzopyran-4-one
(10s)-4,10,15-trihydroxy-13-methyl-7-(3-methylbut-2-en-1-yl)-12-[(3-methylbut-2-en-1-yl)oxy]-9-oxatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3,5,7,12,14-hexaen-2-one
3-(2,4-dihydroxyphenyl)-8-(3,7-dimethylocta-2,6-dien-1-yl)-5,7-dihydroxy-2,3-dihydro-1-benzopyran-4-one
(2s)-2-[2,4-dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]-5,7-dihydroxy-6-(3-methylbut-2-en-1-yl)-2,3-dihydro-1-benzopyran-4-one
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6,8-bis(3-methylbut-1-en-1-yl)-2,3-dihydro-1-benzopyran-4-one
(2r,11r,16r,17r)-17-methyl-17-(4-methylpent-3-en-1-yl)-4,12,18-trioxapentacyclo[11.8.0.0²,¹¹.0⁵,¹⁰.0¹⁴,¹⁹]henicosa-1(21),5,7,9,13,19-hexaene-7,16,20-triol
8-hydroxy-12-(4-hydroxyphenyl)-5-(2-hydroxypropan-2-yl)-2-(3-methylbut-2-en-1-yl)-4,13-dioxatricyclo[7.4.0.0³,⁷]trideca-1(9),2,7-trien-10-one
(2s)-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2s)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]-2,3-dihydro-1-benzopyran-4-one
(2s)-2-(2,6-dihydroxyphenyl)-5,7-dihydroxy-8-[(2s)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]-2,3-dihydro-1-benzopyran-4-one
8-hydroxy-7-[(8-hydroxy-3,4,5-trimethyl-6-oxo-3,4-dihydro-2-benzopyran-7-yl)methyl]-3,4,5-trimethyl-3,4-dihydro-2-benzopyran-6-one
(5r,12s)-8-hydroxy-12-(4-hydroxyphenyl)-5-(2-hydroxypropan-2-yl)-2-(3-methylbut-2-en-1-yl)-4,13-dioxatricyclo[7.4.0.0³,⁷]trideca-1(9),2,7-trien-10-one
3-(4-hydroxyphenyl)-7-methoxy-5-{[(2s,3r,4r,5r,6s)-3,4,5,6-tetramethyloxan-2-yl]oxy}chromen-4-one
(2r,3r)-2-{3-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-4-hydroxyphenyl}-3,5,7-trihydroxy-2,3-dihydro-1-benzopyran-4-one
5-(3,4-dihydroxyphenyl)-9-hydroxy-13,13-dimethyl-2-(3-methylbut-2-en-1-yl)-4,14-dioxatricyclo[8.4.0.0³,⁸]tetradeca-1,3(8),9-trien-7-one
5,7-dihydroxy-3-{4-hydroxy-3-[(2e)-7-hydroxy-3,7-dimethyloct-2-en-1-yl]phenyl}chromen-4-one
(2s,5ar,9as)-2-(3,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-10-(3-methylbut-2-en-1-yl)-2h,3h,5ah,9ah-pyrano[3,2-g]chromen-4-one
(4r,12s,13r,14s,19r,21s)-11-acetyl-8-methoxy-15-oxa-1,11-diazahexacyclo[16.3.1.0⁴,¹².0⁴,²¹.0⁵,¹⁰.0¹³,¹⁹]docosa-5,7,9,17-tetraen-14-yl acetate
1,3-dihydroxy-6,7-dim ethoxy-2,8-diprenylxan-thone
{"Ingredient_id": "HBIN001194","Ingredient_name": "1,3-dihydroxy-6,7-dim ethoxy-2,8-diprenylxan-thone","Alias": "NA","Ingredient_formula": "C25H28O6","Ingredient_Smile": "CC(=CCC1=C(C(=C2C(=C1)C(=O)C3=C(C(=C(C=C3O2)OC)CC=C(C)C)O)O)OC)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5826","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2',3,4,4'-tetrahydroxy-3'-[6-hydroxy-3,7-di-methyl-2(e),7-octadienyl]chalcone
{"Ingredient_id": "HBIN003850","Ingredient_name": "2',3,4,4'-tetrahydroxy-3'-[6-hydroxy-3,7-di-methyl-2(e),7-octadienyl]chalcone","Alias": "NA","Ingredient_formula": "C25H28O6","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21103","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2R)-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2S)-2-isopropenyl-5-methylhex-4-enyl]-4-chromanone
{"Ingredient_id": "HBIN006360","Ingredient_name": "(2R)-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2S)-2-isopropenyl-5-methylhex-4-enyl]-4-chromanone","Alias": "(2R)-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2S)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]chroman-4-one; (2R)-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2S)-5-methyl-2-prop-1-en-2-yl-hex-4-enyl]chroman-4-one; (2R)-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2S)-2-isopropenyl-5-methyl-hex-4-enyl]chroman-4-one; ZINC02008845","Ingredient_formula": "C25H28O6","Ingredient_Smile": "NA","Ingredient_weight": "424.49","OB_score": "1.220421641","CAS_id": "34981-24-3","SymMap_id": "SMIT08216","TCMID_id": "NA","TCMSP_id": "MOL006631","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2r,3r)-lespedezaflavanone c
{"Ingredient_id": "HBIN006454","Ingredient_name": "(2r,3r)-lespedezaflavanone c","Alias": "NA","Ingredient_formula": "C25H28O6","Ingredient_Smile": "CC(=CCC1=C(C=CC(=C1)C2C(C(=O)C3=C(C=C(C(=C3O2)CC=C(C)C)O)O)O)O)C","Ingredient_weight": "424.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "12675","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "14542252","DrugBank_id": "NA"}
3'-(γ,γ-dimethylallyl)-kievitone
{"Ingredient_id": "HBIN009773","Ingredient_name": "3'-(\u03b3,\u03b3-dimethylallyl)-kievitone","Alias": "3'(\u03b3,\u03b3-dimethylallyl)-kievitone","Ingredient_formula": "C25H28O6","Ingredient_Smile": "CC(=CCC1=C(C=CC(=C1O)C2COC3=C(C2=O)C(=CC(=C3CC=C(C)C)O)O)O)C","Ingredient_weight": "424.53","OB_score": "1.211793727","CAS_id": "NA","SymMap_id": "SMIT00880","TCMID_id": "6306","TCMSP_id": "MOL004965","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
β-mangostin
{"Ingredient_id": "HBIN018187","Ingredient_name": "\u03b2-mangostin","Alias": "NA","Ingredient_formula": "C25H28O6","Ingredient_Smile": "CC(=CCC1=C(C=C2C(=C1O)C(=O)C3=C(C(=C(C=C3O2)O)OC)CC=C(C)C)OC)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13486","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}