Exact Mass: 424.1846
Exact Mass Matches: 424.1846
Found 500 metabolites which its exact mass value is equals to given mass value 424.1846,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Clindamycin
Clindamycin is a semisynthetic lincosamide antibiotic that has largely replaced lincomycin due to an improved side effect profile. Clindamycin inhibits bacterial protein synthesis by binding to bacterial 50S ribosomal subunits. It may be bacteriostatic or bactericidal depending on the organism and drug concentration. Clindamycin, also known as cleocin or 7-CDL, belongs to the class of organic compounds known as proline and derivatives. Proline and derivatives are compounds containing proline or a derivative thereof resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Clindamycin is a drug. Clindamycin is a semisynthetic lincosamide antibiotic that has largely replaced lincomycin due to an improved side effect profile. Clindamycin is a very strong basic compound (based on its pKa). In humans, clindamycin is involved in clindamycin action pathway. Orally and parenterally administered clindamycin has been associated with severe colitis (pseudomembranous colitis) which may result in patient death. Use of the topical formulation of clindamycin results in absorption of the antibiotic from the skin surface. Clindamycin is a potentially toxic compound. Rapidly absorbed after oral administration with peak serum concentrations observed after about 45 minutes. Oral; topical; parenteral (intramuscular, intravenous). Systemic/vaginal clindamycin inhibits protein synthesis of bacteria by binding to the 50S ribosomal subunits of the bacteria. Clindamycin. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=18323-44-9 (retrieved 2024-06-28) (CAS RN: 18323-44-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
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).
Trimethobenzamide hydrochloride
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents Trimethobenzamide hydrochloride is a blocker of the D2 receptor. Trimethobenzamide is an antiemetic used to prevent nausea and vomiting.
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)
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.
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].
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].
Sophoraflavanone L
A trihydroxyflavanone that is flavanone substituted by hydroxy groups at positions 5, 2 and 4, a prenyl group at position 8 and a prenyloxy group at position 7. Isolated from the roots of Sophora flavescens, it exhibits cytotoxicity towards KB epidermoid carcinoma cell line. Sophoraflavanone L is a trihydroxyflavanone that is flavanone substituted by hydroxy groups at positions 5, 2' and 4', a prenyl group at position 8 and a prenyloxy group at position 7. Isolated from the roots of Sophora flavescens, it exhibits cytotoxicity towards KB epidermoid carcinoma cell line. It has a role as a metabolite and an antineoplastic agent. It is a trihydroxyflavanone and a member of 4'-hydroxyflavanones. 2-(2,4-Dihydroxyphenyl)-2,3-dihydro-5-hydroxy-8-(3-methyl-2-buten-1-yl)-7-[(3-methyl-2-buten-1-yl)oxy]-4H-1-benzopyran-4-one. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=910459-01-7 (retrieved 2024-11-13) (CAS RN: 910459-01-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
Orientanol E
arugosin A (lactol form)
A dibenzooxepine that is dibenzo[b,e]oxepin-11(6H)-one which is substituted by hydroxy groups at positions 1, 6, and 10, a 3,3-dimethylallyl group at position 2, a 3,3-dimethylallyloxy group at position 7, and a methyl group at position 8.
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
Variecoxanthone C
A member of the class of xanthones that is 9H-xanthen-9-one substituted by a (3,3-dimethyoxiran-2-yl)methyl group at position 5, a hydroxy group at position 8, a hydroxymethyl group at position 1, a methyl group at position 3 and a prenyloxy group at position 2. It has been isolated from Aspergillus.
Lespedezol D5
Bonanniol A
Lonchocarpol C1
Arugosin C
An organic heterotetracyclic compound that is 1,12a-dihydrochromeno[4,5-bc][1]benzoxepin-7(2H)-one substituted by a hydroxy group at position 8, a 2-hydroxypropan-2-yl group at position 1, a methyl group at position 4 and a prenyl group at position 9. Isolated from Aspergillus, it exhibits inhibitory activity against hepatitis C protease.
Flemiflavanone D
6,8-Diprenyleriodictyol
paratocarpin G
(2S)-5,7,2,4-Tetrahydroxy-8-prenyl-5-(1,1-dimethylallyl)flavanone
remangiflavanone B
A tetrahydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 5, 7, 2 and 4 and a lavandulyl group at position 8. Isolated from Physena madagascariensis, it exhibits antibacterial activity.
Exiguaflavanone A
A tetrahydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 5, 7, 2 and 6 and a lavandulyl group at position 8. Isolated from Sophora exigua and Artemisia indica, it exhibits antimalarial activity.
Sanggenol A
Sanggenol A is a natural product found in Morus cathayana and Morus alba with data available.
norkurarinone
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].
[(2R,3R,4S,5S,6R)-2-(acetyloxymethyl)-3,5-dihydroxy-6-[(2S,3R)-2,3,4-trihydroxybutoxy]oxan-4-yl] hexanoate
DIHYDROMUNDULETONE
Dihydromunduletone (DHM) is a rotenoid derivative and a selective, potent adhesion G protein-coupled receptor (aGPCR) (GPR56 and GPR114/ADGRG5) antagonist with an IC 50 of 20.9 μM for GPR56, but not inhibit GPR110 or class A GPCRs[1].
2-(3,5-dihydroxyphenyl)-5,7-dihydroxy-6,8-bis(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
(S)-Diplacone|6-geranyl-3,4,5,7-tetrahydroxy-flavanone|6-geranyl-3,4,5,7-tetrahydroxyflavanone|Diplacone|nymphaenol A|nymphaeol-A|nymphaerol A
1-(2,4-dihydroxyphenyl)-3-[8-hydroxy-2-methyl-2-(4-hydroxy-4-methyl-2-pentenyl)-2h-1-benzopyran-5-yl]-1-propanone
vexibinol
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].
(E)-2-hexenyl beta-D-sophoriside|(E)-2-Hexenyl-??-D-glucopyranosyl-(1鈥樏傗垎 2)-??-D-glucopyranoside
8-(3,4-dihydroxyphenyl)-5-hydroxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-3,4,7,8-tetrahydropyrano[3,2-g]chromen-6-one
2(S)-5,7-dihydroxy-5-prenyl-[2,2-(3-hydroxy)-dimethylpyrano]-(5,6:3,4)flavanone
(2R,3R)-3-geranyl-2,3-trans-5,7,4-trihydroxyflavonol
7,7-methanediylbis(3,4-dihydro-8-hydroxy-3,4,5-trimethyl-6H-isochromen-6-one)|dicitrinol|dicitrinone C
2,3,4,4-tetrahydroxy-3-[6-hydroxy-3,7-dimethyl-2(E),7-octadienyl]chalcone
3,4,5,7-Tetrahydroxy-6,8-diprenyl-2,3-dihydroisoflavone
2-[3-(3-Methyl-2-butenyl)-4-hydroxyphenyl]-3,5,7-trihydroxy-8-(3-methyl-2-butenyl)-3,4-dihydro-2H-1-benzopyran-4-one
(Z)-3-hexenyl O-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside
4,5,7-trihydroxy-6-[6-hydroxy-3,7-dimethyl-2,7-octadienyl]flavanone|mimolone B
5,4-dihydroxy-6-(3-methylbut-2-enyl)-5-hydroxyisopropyldihydrofurano[2,3:7,8]isoflavone|isosenegalensein
1,5-dihydroxy-3,8-dimethoxy-2-(3,3-dimethyl-2-propenyl)-7-(3,3-dimethyl-2-propenyl)xanthone|phylattrin
CRATOXYARBORENONE C
A member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1 and 3, methoxy groups at positions 5 and 7 and two isoprenyl groups at positions 2 and 8 respectively. It is isolated from Cratoxylum Sumatranum and exhibits cytotoxicity towards the KB (human oral epidermoid) cancer cell line
(+/-)-euchrestaflavanone B|(S)-form-Euchrestaflavanone B|5,7,2,4-tetrahydroxy-6,5-diprenylflavanone|cudraflavanone D|euchrestaflavanone B
3-(18,19-dihydro-19-hydroxygeranyloxy)-1,8-dihydroxy-6-methylanthraquinone|3-O-(3,7-dimethyl-7-hydroxyoct-2-enyl)-emodin
5-geranyl-3,4,5,7-tetrahydroxyflavanone|5,7,3,4-tetrahydroxy-5-C-geranylflavanone|isonymphaeol-B|propolin F
Schizolaenone C
Schizolaenone C is a natural product found in Paulownia tomentosa with data available.
5,7,4-trihydroxy-3-(7-hydroxy-3,7-dimethyl-2(E)-octenyl)isoflavone
KushenolE
Kushenol E is a natural product found in Flemingia prostrata, Maclura cochinchinensis, and other organisms with data available. See also: Sophora tonkinensis root (part of).
MEGxp0_000008
2-[3,4-Dihydroxy-2,5-bis(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one is a natural product found in Erythrina abyssinica and Erythrina latissima with data available.
Cathayanon H
Cathayanon H is a natural product found in Morus cathayana with data available.
3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6,8-bis(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
(2R,3R)-6-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
2-(3,4-dihydroxyphenyl)-6-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one
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
3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6,8-bis(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one [IIN-based on: CCMSLIB00000846382]
3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6,8-bis(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one [IIN-based: Match]
Ala Phe Gly Met
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β-D-Glucopyranosiduronic acid, 2-(1H-indol-4-yloxy)-1-[[(1-methylethyl)amino]methyl]ethyl
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Sigmoidin A
A tetrahydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 5, 7, 3 and 4 and prenyl groups at positions 2 and 5. Isolated from Erythrina sigmoidea, it exhibits anti-inflammatory and antioxidant activities.
β-Mangostin
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].
3-Methyl-2-butenyl-(-)-piperitol
1,7-Dihydroxy-3,6-dimethoxy-2,8-diprenylxanthone
2,2-dimethylpropane-1,3-diol,ethane-1,2-diol,propane-1,2,3-triol,terephthalic acid
sodium 2-[2-[2-(octylphenoxy)ethoxy]ethoxy]ethanesulphonate
sodium 2-[2-[2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethoxy]ethanesulphonate
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
(3S,4S,5S)-3-amino-4,5-dihydroxy-6-[[(1S)-1-[(3S)-8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl]-3-methylbutyl]amino]-6-oxohexanoic acid
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.
3-[3-(N-ethylanilino)propyl]-6-(4-morpholinyl)-2-sulfanylidene-1H-quinazolin-4-one
12-(2-hydroxyethyl)-2-(1-methylethoxy)-13,14-dihydronaphtho[2,1-a]pyrrolo[3,4-c]carbazol-5(12H)-one
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.
(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.
N-[1-(3-methoxyphenyl)-3-(1-naphthalenylamino)-3-oxopropyl]benzamide
7-[[1-(2-oxolanylmethyl)-5-tetrazolyl]-(1-pyrrolidinyl)methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
3-(4-methoxyphenyl)-2-(4-methyl-1-piperazinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[2,3]thieno[2,4-b]pyrimidin-4-one
(2S,4R)-N-[(1S,2S)-2-chloro-1-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(methylthio)-2-oxanyl]propyl]-1-methyl-4-propyl-2-pyrrolidinecarboxamide
1,7-Bis(3,4-dimethoxyphenyl)-4,4-dimethylhepta-1,6-diene-3,5-dione
1,3-benzodioxol-5-yl-[(1R,5S)-7-[4-[(E)-2-phenylethenyl]phenyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]methanone
N-[(2R,3S,6S)-6-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-4-oxanecarboxamide
N-[(2S,3R,6S)-6-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]oxane-4-carboxamide
N-[(2S,3R,6R)-6-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]oxane-4-carboxamide
N-[(2S,3S,6S)-6-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-4-oxanecarboxamide
N-[(2R,3S,6R)-6-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-4-oxanecarboxamide
N-[(2R,3R,6R)-6-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-4-oxanecarboxamide
[(1S,2aR,8bR)-4-[(3-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-(4-oxanyl)methanone
[(1R,2aR,8bR)-4-[(3-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-(4-oxanyl)methanone
[(3aS,4S,9bS)-1-(benzenesulfonyl)-5-methyl-8-pent-1-ynyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-4-yl]methanol
(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
N-[(2S,3S,6R)-6-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-4-oxanecarboxamide
N-[(2R,3R,6S)-6-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-4-oxanecarboxamide
[(1S,2aS,8bS)-4-[(3-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-(4-oxanyl)methanone
[(1R,2aS,8bS)-4-[(3-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-(4-oxanyl)methanone
(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.
[2-butyl-5-chloro-3-[[4-[2-(2,3-dihydro-1H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol
[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,4R)-N-[(1R)-2-chloro-1-[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide
platencin(1-)
A monocarboxylic acid anion that is the conjugate base of platencin resulting from the deprotonation of the carboxy group; major species at pH 7.3.
Cleocin
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D055231 - Lincosamides D004791 - Enzyme Inhibitors > D011500 - Protein Synthesis Inhibitors
(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.
clindamycin
A carbohydrate-containing antibiotic that is the semisynthetic derivative of lincomycin, a natural antibiotic.
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
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
(2s,4ar,5s)-2,8,10-trihydroxy-2,5-dimethyl-5-(4-methylpent-3-en-1-yl)-4,4a-dihydro-3h-6-oxatetraphene-7,12-dione
(3r)-2,2-dimethyl-5,10-dioxo-3h,4h-naphtho[2,3-b]pyran-3-yl (2e,6s)-6-hydroxy-2,6-dimethylocta-2,7-dienoate
1,8-dihydroxy-3-{[(2e)-7-hydroxy-3,7-dimethyloct-2-en-1-yl]oxy}-6-methylanthracene-9,10-dione
(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
(2s,7s)-2-{[(1s)-1-{[(1s)-1-carboxy-2-(4-hydroxyphenyl)ethyl]-c-hydroxycarbonimidoyl}ethyl]amino}-7-hydroxy-4-oxooctanoic acid
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
(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
(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
(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
(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,4r)-n-{2-chloro-1-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(methylsulfanyl)oxan-2-yl]propyl}-1-methyl-4-propylpyrrolidine-2-carboximidic acid
(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
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"}
