Exact Mass: 410.1213
Exact Mass Matches: 410.1213
Found 500 metabolites which its exact mass value is equals to given mass value 410.1213,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Bruceine
Bruceine D is a quassinoid that is 13,20-epoxypicras-3-ene substituted by hydroxy groups at positions 1, 11, 12, 14 and 15 and oxo groups at positions 2 and 16. Isolated from the ethanol extract of the stem of Brucea mollis, it exhibits cytotoxic activity. It has a role as a metabolite, an antineoplastic agent and a plant metabolite. It is a delta-lactone, a pentol, a quassinoid, an organic heteropentacyclic compound and a secondary alpha-hydroxy ketone. It derives from a hydride of a picrasane. Brucein D is a natural product found in Brucea javanica, Brucea mollis, and Samadera indica with data available. A quassinoid that is 13,20-epoxypicras-3-ene substituted by hydroxy groups at positions 1, 11, 12, 14 and 15 and oxo groups at positions 2 and 16. Isolated from the ethanol extract of the stem of Brucea mollis, it exhibits cytotoxic activity. Bruceine D is a Notch inhibitor with anti-cancer activity and induces apoptosis in several human cancer cells. Bruceine D is an effective botanical insect antifeedant with outstanding systemic properties, causing potent pest growth inhibitory activity[1][2]. Bruceine D has strong anthelmintic activity against D. intermedius with an EC50 value of 0.57 mg/L[3]. Bruceine D is a Notch inhibitor with anti-cancer activity and induces apoptosis in several human cancer cells. Bruceine D is an effective botanical insect antifeedant with outstanding systemic properties, causing potent pest growth inhibitory activity[1][2]. Bruceine D has strong anthelmintic activity against D. intermedius with an EC50 value of 0.57 mg/L[3].
Lactupicrin
Lactucopicrin is an azulenofuran, a cyclic terpene ketone, an enone, a member of phenols, a sesquiterpene lactone and a primary alcohol. It has a role as a plant metabolite, a sedative and an antimalarial. It is functionally related to a 4-hydroxyphenylacetic acid and a lactucin. Lactupicrin is a natural product found in Cichorium endivia, Cichorium spinosum, and other organisms with data available. Constituent of Lactuca sativa (lettuce), Cichorium intybus (chicory) and Cichorium endivia (endive). Lactupicrin is found in many foods, some of which are endive, romaine lettuce, chicory, and lettuce. Lactupicrin is found in chicory. Lactupicrin is a constituent of Lactuca sativa (lettuce), Cichorium intybus (chicory) and Cichorium endivia (endive) Lactupicrin (Lactucopicrin) is a characteristic bitter sesquiterpene lactone that can relieve pain. Lactupicrin exhibits atheroprotective effect[1][2]. Lactupicrin (Lactucopicrin) is a characteristic bitter sesquiterpene lactone that can relieve pain. Lactupicrin exhibits atheroprotective effect[1][2].
Nicosulfuron
CONFIDENCE standard compound; EAWAG_UCHEM_ID 129 CONFIDENCE standard compound; INTERNAL_ID 2532
BENSULFURON-METHYL
spirodiclofen
Tephrosin
Tephrosin is a member of the class of rotenones that is 13,13a-dihydro-3H-chromeno[3,4-b]pyrano[2,3-h]chromen-7(7aH)-one substituted with geminal methyl groups at position 3, hydroxy group at position 7a and methoxy groups at positions 9 and 10 (the 7aR,13aR stereoisomer). It is isolated from the leaves and twigs of Antheroporum pierrei and exhibits antineoplastic and pesticidal activities. It has a role as a pesticide, an antineoplastic agent and a metabolite. It is an organic heteropentacyclic compound, an aromatic ether, a cyclic ketone and a member of rotenones. Tephrosin is a natural product found in Millettia ferruginea, Tephrosia vogelii, and other organisms with data available. A member of the class of rotenones that is 13,13a-dihydro-3H-chromeno[3,4-b]pyrano[2,3-h]chromen-7(7aH)-one substituted with geminal methyl groups at position 3, hydroxy group at position 7a and methoxy groups at positions 9 and 10 (the 7aR,13aR stereoisomer). It is isolated from the leaves and twigs of Antheroporum pierrei and exhibits antineoplastic and pesticidal activities.
(-)-cis-Rotenolone
(-)-cis-Rotenolone is found in jicama. (-)-cis-Rotenolone is isolated from Pachyrrhizus erosus (yam bean). Isolated from Pachyrrhizus erosus (yam bean). (-)-cis-Rotenolone is found in jicama and pulses.
Aklaviketone
A carboxylic ester that is the methyl ester of (1R,2R)-2-ethyl-2,5,7-trihydroxy-4,6,11-trioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylic acid.
MM 42842
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
Linrodostat
C308 - Immunotherapeutic Agent > C129820 - Antineoplastic Immunomodulating Agent C308 - Immunotherapeutic Agent > C141144 - Immune Checkpoint Modulator C471 - Enzyme Inhibitor > C141137 - IDO1 Inhibitor D004791 - Enzyme Inhibitors C274 - Antineoplastic Agent
JNJ-42165279
D004791 - Enzyme Inhibitors JNJ-42165279 is a FAAH inhibitor that inhibits hFAAH and rFAAH with IC50 of 70±8 nM and 313 ± 28 nM respectively.
BMS-707035
D004791 - Enzyme Inhibitors > D019429 - Integrase Inhibitors > D019428 - HIV Integrase Inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents
Butyl 3-O-caffeoylquinate
Butyl 3-O-caffeoylquinate is found in fruits. Butyl 3-O-caffeoylquinate is a constituent of Spondias mombin (yellow mombin) Constituent of Spondias mombin (yellow mombin). Butyl 3-O-caffeoylquinate is found in fruits.
3-(4-Hydroxybenzoyl)epicatechin
3-(4-Hydroxybenzoyl)epicatechin is found in tea. 3-(4-Hydroxybenzoyl)epicatechin is isolated from oolong tea (Camellia sinensis var. assamica). Isolated from oolong tea (Camellia sinensis variety assamica). Epicatechin 3-p-hydroxybenzoate is found in tea.
(5a,6a,8a,11a)-8-Hydroxy-2-oxo-1(10),3-guaiadien-12,6-olide-15-al 8-(4-hydroxyphenylacetate)
(5a,6a,8a,11a)-8-Hydroxy-2-oxo-1(10),3-guaiadien-12,6-olide-15-al 8-(4-hydroxyphenylacetate) is found in coffee and coffee products. (5a,6a,8a,11a)-8-Hydroxy-2-oxo-1(10),3-guaiadien-12,6-olide-15-al 8-(4-hydroxyphenylacetate) is a constituent of Cichorium intybus (chicory). Constituent of Cichorium intybus (chicory). (5a,6a,8a,11a)-8-Hydroxy-2-oxo-1(10),3-guaiadien-12,6-olide-15-al 8-(4-hydroxyphenylacetate) is found in coffee and coffee products, herbs and spices, and green vegetables.
Bms-707035
D004791 - Enzyme Inhibitors > D019429 - Integrase Inhibitors > D019428 - HIV Integrase Inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents
Epicocconone
Ethametsulfuron-methyl
Lemborexant
Phenobarbital N-glucoside
Aloenin
Aloenin is a glycoside. Aloenin is a natural product found in Aloe africana, Aloe nyeriensis, and other organisms with data available. See also: Aloe Vera Leaf (part of). Aloenin (Aloenin A) is a natural compound, which has potent peroxyl radical-scavenging activities and moderate inhibitory active on β-secretase (BACE)[1][2]. Aloenin (Aloenin A) is a natural compound, which has potent peroxyl radical-scavenging activities and moderate inhibitory active on β-secretase (BACE)[1][2].
Dehydropodophyllotoxin
Dehydropodophyllotoxin is a natural product found in Hernandia ovigera, Juniperus sabina, and other organisms with data available.
DIMETHYL (2Z,3Z)-2,3-BIS(BENZO[1,3]DIOXOL-5-YLMETHYLIDENE)BUTANEDIOATE
Cratoxyarborenone D
An organic heterotetracyclic compound that is 2,3-dihydro-5H-furo[3,2-b]xanthen-5-one substituted by hydroxy groups at positions 4, 7, 8 and 9, an isoprenyl group at position 6 and a prop-1-en-2-yl group at position 2. It is isolated from Cratoxylum Sumatranum and exhibits cytotoxicity towards the KB (human oral epidermoid) cancer cell line. Cratoxyarborenone D has been reported in Cratoxylum and Cratoxylum sumatranum
Amorphispironone
Velloquercetin 3,5,3-trimethyl ether
brasixanthone C
A member of the class of pyranoxanthones that is 2H,6H-pyrano[3,2-b]xanthen-6-one substituted by a 2-hydroperoxy-3-methylbut-3-en-1-yl moiety at position 12, hydroxy groups at positions 5 and 8 and geminal methyl groups at position 2. It is isolated from the stem bark of Calophyllum brasiliense and exhibits significant inhibitory activity against 12-O-tetradecanoylphorbol-13-acetate induced Epstein-Barr virus early antigen activation in Raji cells.
Toxicarolisoflavone
Toxicarolisoflavone is a natural product found in Derris montana, Derris ovalifolia, and other organisms with data available.
Amorphigenin
Origin: Plant, Pyrans relative retention time with respect to 9-anthracene Carboxylic Acid is 1.086 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.088
Pongapinone A
CP-544439
CONFIDENCE standard compound; INTERNAL_ID 416; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4198; ORIGINAL_PRECURSOR_SCAN_NO 4197 CONFIDENCE standard compound; INTERNAL_ID 416; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4199; ORIGINAL_PRECURSOR_SCAN_NO 4198 CONFIDENCE standard compound; INTERNAL_ID 416; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4224; ORIGINAL_PRECURSOR_SCAN_NO 4223 CONFIDENCE standard compound; INTERNAL_ID 416; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4201; ORIGINAL_PRECURSOR_SCAN_NO 4200 CONFIDENCE standard compound; INTERNAL_ID 416; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4288; ORIGINAL_PRECURSOR_SCAN_NO 4287 CONFIDENCE standard compound; INTERNAL_ID 416; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4161; ORIGINAL_PRECURSOR_SCAN_NO 4159 CONFIDENCE standard compound; INTERNAL_ID 416; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8355; ORIGINAL_PRECURSOR_SCAN_NO 8351 CONFIDENCE standard compound; INTERNAL_ID 416; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8380; ORIGINAL_PRECURSOR_SCAN_NO 8377 CONFIDENCE standard compound; INTERNAL_ID 416; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8404; ORIGINAL_PRECURSOR_SCAN_NO 8401 CONFIDENCE standard compound; INTERNAL_ID 416; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8406; ORIGINAL_PRECURSOR_SCAN_NO 8401 CONFIDENCE standard compound; INTERNAL_ID 416; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8384; ORIGINAL_PRECURSOR_SCAN_NO 8379 CONFIDENCE standard compound; INTERNAL_ID 416; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8413; ORIGINAL_PRECURSOR_SCAN_NO 8410
11-hydroxy-13-chloro-11,13-dihydroatripliciolide-8-O-tiglate
7-nor-6-oxo-2,3-dehydro-12abeta-hydroxyrotenone|7-nor-6-oxo-4,5-dehydrorotenolone
Desertorin A
A bicoumarin that is 7-hydroxy-4-methoxy-5-methyl-2H-chromen-2-one substituted by a 7-hydroxy-4-methoxy-5-methyl-2-oxo-2H-chromen-6-yl group at position 8.
(1R,3S,4S,5S,6S,7R,8S)-4beta-(chloromethyl)-3beta,4alpha-dihydroxy-8alpha-(3-formyl-2-methyl-propenoyloxy)-1alphaH,5alphaH,6betaH,7alphaH-guai-10(14),11(13)-dien-6,12-olide
7-hydroxy-4,5,6-trimethoxy-3,4-methylenedioxy-2,7-cycloling-7,8-diene-9,9-lactone
(6S*,9aS*)-5,6-dihydro-3-[(1Z,4E,6E,8E)-1-hydroxy-3-oxo-1,4,6,8-decatetraenyl]-6-hydroxymethyl-9a-methyl-2H-furo[3,2-g]benzopyran-2-9(9H)-dione|epicocconone
4alpha-(2,4-dihydroxy-3-methoxyphenyl)-(-)-fisetinidol
9-ethyl-1,4,6,7-tetrahydroxy-10-methoxycarbonyl-7,8-dihydro-5,12-naphthacenequinone|Anhydro-epsilon-pyrromycinone
3,4,8-Tri-Me ether-5,10-Dihydroxy-8-(3,4-dihydroxyphenyl)-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b]dipyran-6-one
2,2-Dimethyl-5,8-dihydroxy-12-[hydroxy(3,3-dimethyloxiranyl)methyl]-2H,6H-pyrano[3,2-b]xanthene-6-one
(Rac)-Tephrosin
(1R,14R)-14-Hydroxy-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.0^{3,12.0^{4,9.0^{15,20]docosa-3(12),4(9),5,10,15,17,19-heptaen-13-one is a member of rotenones. (1R,14R)-14-hydroxy-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.0^{3,12.0^{4,9.0^{15,20]docosa-3(12),4(9),5,10,15,17,19-heptaen-13-one is a natural product found in Millettia ferruginea, Derris trifoliata, and other organisms with data available.
6-[4-hydroxy-2-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-methoxypyran-2-one
2-(hydroxymethyl)-5-(2-oxopropyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
(2s,6as,12as)-6a-hydroxy-8,9-dimethoxy-2-(prop-1-en-2-yl)-1,2,12,12a-tetrahydrochromeno[3,4-b]furo[2,3-h]chromen-6(6ah)-one
Lactucopicrin
Lactupicrin (Lactucopicrin) is a characteristic bitter sesquiterpene lactone that can relieve pain. Lactupicrin exhibits atheroprotective effect[1][2]. Lactupicrin (Lactucopicrin) is a characteristic bitter sesquiterpene lactone that can relieve pain. Lactupicrin exhibits atheroprotective effect[1][2].
BENSULFURON-METHYL
The sample was injected by direct infusion.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 19HP8024 to the Mass Spectrometry Society of Japan.
Ala Cys Cys Asp
Ala Cys Asp Cys
Ala Cys Met Ser
Ala Cys Ser Met
Ala Asp Cys Cys
Ala Met Cys Ser
Ala Met Ser Cys
Ala Ser Cys Met
Ala Ser Met Cys
Cys Ala Cys Asp
Cys Ala Asp Cys
Cys Ala Met Ser
Cys Ala Ser Met
Cys Cys Ala Asp
Cys Cys Asp Ala
Cys Cys Glu Gly
Cys Cys Gly Glu
Cys Cys Ser Val
Cys Cys Val Ser
Cys Asp Ala Cys
Cys Asp Cys Ala
Cys Asp Ser Ser
Cys Glu Cys Gly
Cys Glu Gly Cys
Cys Gly Cys Glu
Cys Gly Glu Cys
Cys Gly Met Thr
Cys Gly Thr Met
Cys Met Ala Ser
Cys Met Gly Thr
Cys Met Ser Ala
Cys Met Thr Gly
Cys Ser Ala Met
Cys Ser Cys Val
Cys Ser Asp Ser
Cys Ser Met Ala
Cys Ser Ser Asp
Cys Ser Thr Thr
Cys Ser Val Cys
Cys Thr Gly Met
Cys Thr Met Gly
Cys Thr Ser Thr
Cys Thr Thr Ser
Cys Val Cys Ser
Cys Val Ser Cys
Asp Ala Cys Cys
Asp Cys Ala Cys
Asp Cys Cys Ala
Asp Cys Ser Ser
Asp Gly Gly Tyr
Asp Gly Tyr Gly
Asp Ser Cys Ser
Asp Ser Ser Cys
Asp Tyr Gly Gly
Glu Cys Cys Gly
Glu Cys Gly Cys
Glu Gly Cys Cys
1,8-Naphthyridine-3-carboxylic acid, 1-ethyl-1,4-dihydro-7-hydroxy-4-oxo- glucuronide
Gly Cys Cys Glu
Gly Cys Glu Cys
Gly Cys Met Thr
Gly Cys Thr Met
Gly Asp Gly Tyr
Gly Asp Tyr Gly
Gly Glu Cys Cys
Gly Gly Asp Tyr
Gly Gly Tyr Asp
Gly Met Cys Thr
Gly Met Thr Cys
Gly Thr Cys Met
Gly Thr Met Cys
Gly Tyr Asp Gly
Gly Tyr Gly Asp
Met Ala Cys Ser
Met Ala Ser Cys
Met Cys Ala Ser
Met Cys Gly Thr
Met Cys Ser Ala
Met Cys Thr Gly
Met Gly Cys Thr
Met Gly Thr Cys
Met Ser Ala Cys
Met Ser Cys Ala
Met Ser Ser Ser
Met Thr Cys Gly
Met Thr Gly Cys
Ser Ala Cys Met
Ser Ala Met Cys
Ser Cys Ala Met
Ser Cys Cys Val
Ser Cys Asp Ser
Ser Cys Met Ala
Ser Cys Ser Asp
Ser Cys Thr Thr
Ser Cys Val Cys
Ser Asp Cys Ser
Ser Asp Ser Cys
Ser Met Ala Cys
Ser Met Cys Ala
Ser Met Ser Ser
Ser Ser Cys Asp
Ser Ser Asp Cys
Ser Ser Met Ser
Ser Ser Ser Met
Ser Thr Cys Thr
Ser Thr Thr Cys
Ser Val Cys Cys
Thr Cys Gly Met
Thr Cys Met Gly
Thr Cys Ser Thr
Thr Cys Thr Ser
Thr Gly Cys Met
Thr Gly Met Cys
Thr Met Cys Gly
Thr Met Gly Cys
Thr Ser Cys Thr
Thr Ser Thr Cys
Thr Thr Cys Ser
Thr Thr Ser Cys
Val Cys Cys Ser
Val Cys Ser Cys
Val Ser Cys Cys
Tyr Asp Gly Gly
Tyr Gly Asp Gly
Tyr Gly Gly Asp
(5a,6a,8a,11a)-8-Hydroxy-2-oxo-1(10),3-guaiadien-12,6-olide-15-al 8-(4-hydroxyphenylacetate)
3-(4-Hydroxybenzoyl)epicatechin
Darusentan
C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent D065128 - Endothelin Receptor Antagonists C28313 - Endothelin Receptor Antagonist Darusentan (Lu-135252) is a selective endothelin receptor A (ET-A) receptor antagonist, which binds with a Ki of 1.4 nM to the ET-A receptor and a Ki of 184 nM to ET-B receptor, respectively with a 100-fold selectivity for ETA rather than ETB receptors[1]. Darusentan competes for radiolabeled endothelin binding in rat aortic vascular smooth muscle cells (RAVSMs) membranes with single-site kinetics, exhibiting a Ki of 13 nM[2].
Phosphonic acid, [[1-[[(methylsulfonyl)oxy]methyl]-2-(phenylmethoxy)ethoxy]methyl]-, diethyl ester-R
2-[2-[4-[(4-chlorophenyl)phenylmethyl]piperazin-1-yl]ethoxy]ethanol hydrochloride
lemborexant
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives C78272 - Agent Affecting Nervous System > C142786 - Orexin Receptor Antagonist D018377 - Neurotransmitter Agents > D000068796 - Orexin Receptor Antagonists N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives
benzenesulfonyl chloride;1,4-divinylbenzene;styrene
2-Propenamide-3-(2-chlorophenyl)-N-[2-[[3-(dimethylamino)propyl]thio]phenyl]-hydrochloride(1:1)
Solabegron
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists Solabegron (GW 427353) is a selective β3-adrenergic receptor agonist, stimulating cAMP accumulation in Chinese hamster ovary cells expressing the human β3-AR, with an EC50 value of 22 nM[1]. Solabegron (GW 427353) is being developed for the treatment of overactive bladder and irritable bowel syndrome[1].
Epicocconone
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes
6-(2,5-dimethoxyphenyl)-3-(3-propan-2-yloxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
3-(4-fluorophenyl)-4,4,6,8-tetramethyl-5,6-dihydro-4H,4H-spiro[pyrrolo[3,2,1-ij]quinoline-1,2-[1,3]thiazolidine]-2,4-dione
2-[[5-(2-furanyl)-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]thio]-N-(2-methoxyphenyl)acetamide
N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(2,5-dioxo-1-pyrrolidinyl)benzamide
2H-Pyran-4-carboxamide, 4-(((4-(4-fluorophenoxy)phenyl)sulfonyl)amino)tetrahydro-N-hydroxy-
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D061965 - Matrix Metalloproteinase Inhibitors
(1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aH)-one,1,2,12,12a-tetrahydro-6a-hydroxy-8,9-dimethoxy-2-(1-methylethenyl)-, (2S-(2alpha,6aalpha,12aalpha))-
1-(4-methylbenzenesulfonyl)-4-(5-phenyl-1H-pyrazole-3-carbonyl)piperazine
(S)-1-[2-Deoxy-3,5-O-(1-phosphono)benzylidene-B-D-threo-pentofuranosyl]thymine
Diclofenac Epolamine
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
4-[[[3-(6-Methoxypyridin-3-yl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide
14-Hydroxy-17,18-dimethoxy-6,6-dimethyl-2,8,21-trioxahexacyclo[12.8.0.03,12.04,9.05,7.015,20]docosa-3(12),4(9),10,15,17,19-hexaen-13-one
5-Ethyl-5-phenyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3-diazinane-2,4,6-trione
6-(hydroxymethyl)-3-[(1Z,4E,6E,8E)-1-hydroxy-3-oxodeca-1,4,6,8-tetraenyl]-9a-methyl-5,6-dihydrofuro[3,2-g]isochromene-2,9-dione
(2S)-2-[12-ethyl-2-hydroxy-8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoic acid
1-(2-Hydroxyethyl)pyrrolidinium {2-[(2,6-dichlorophenyl)amino]phenyl}acetate
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
1-(4-aminofurazan-3-yl)-N-[1-(3-hydroxyphenyl)ethylideneamino]-5-(2-thienyl)triazole-4-carboxamide
N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(2-pyridinylthio)acetamide
N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-benzothiazole-6-carboxamide
N-[3-(4-methyl-1-piperidinyl)-1,4-dioxo-2-naphthalenyl]benzenesulfonamide
N-{2-[(2E)-2-(3,4-dimethoxybenzylidene)hydrazinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl}acetamide
2-Deoxy-5-(4,5-dihydroxypentyl)uridine 5-monophosphate
A pyrimidine 2-deoxyribonucleoside 5-monophosphate having 5-(4,5-dihydroxypentyl)uracil as the nucleobase.
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[3-(phenylmethyl)-2-imidazo[4,5-b]pyridinyl]thio]acetamide
6-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-3-(2-fluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
N-benzyl-N-[(2-indol-2-ylidene-3H-1,3,4-thiadiazol-5-yl)methyl]-1-phenylmethanamine
2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide
2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide
2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide
2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide
2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide
2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide
2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide
(4S,7R)-4-[(3-chlorophenyl)methyl]-7-phenyl-9-oxa-1,6,12,13-tetrazabicyclo[9.2.1]tetradeca-11(14),12-dien-5-one
7-[(4-Chlorophenyl)methyl]-4-phenyl-9-oxa-1,6,13,14-tetrazabicyclo[9.3.0]tetradeca-11,13-dien-5-one
(1R,5S)-3-(2-fluorophenyl)sulfonyl-7-[4-(5-pyrimidinyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane
2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide
(4R,7S)-4-[(4-chlorophenyl)methyl]-7-phenyl-9-oxa-1,6,12,13-tetrazabicyclo[9.2.1]tetradeca-11(14),12-dien-5-one
7-[(3-Chlorophenyl)methyl]-4-phenyl-9-oxa-1,6,13,14-tetrazabicyclo[9.3.0]tetradeca-11,13-dien-5-one
[2-Hydroxy-2-[6-(2-methylbut-3-en-2-yl)-7-oxo-2,3-dihydrouro[3,2-g]chromen-2-yl]propyl] hydrogen sulate
2-(hydroxymethyl)-5-(2-oxopropyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Lactopicrin
Lactucopicrin is an azulenofuran, a cyclic terpene ketone, an enone, a member of phenols, a sesquiterpene lactone and a primary alcohol. It has a role as a plant metabolite, a sedative and an antimalarial. It is functionally related to a 4-hydroxyphenylacetic acid and a lactucin. Lactupicrin is a natural product found in Cichorium endivia, Cichorium spinosum, and other organisms with data available. Lactupicrin (Lactucopicrin) is a characteristic bitter sesquiterpene lactone that can relieve pain. Lactupicrin exhibits atheroprotective effect[1][2]. Lactupicrin (Lactucopicrin) is a characteristic bitter sesquiterpene lactone that can relieve pain. Lactupicrin exhibits atheroprotective effect[1][2].
SN-38 carboxylic acid
A 2-hydroxy monocarboxylic acid resulting from the hydrolysis of the delta-lactone ring of SN-38. It is a metabolite of SN-38.
IEM-1754
IEM-1754, a dicationic adamantane derivative, is a potent blocker of open channels of native ionotropic glutamate receptors including quisqualate-sensitive receptors in insect muscles, NMDAR in cultured rat cortical neurons, and AMPAR in freshly isolated hippocampal cells. IEM-1754 shows anticonvulsant potency in vivo[1][2].
LUF6000
LUF6000 is an orally active allosteric modulator of the A3 adenosine receptor. LUF6000 has potent anti-inflammatory effect[1][2].
MMV009085
MMV009085 is a potent PfHT1 (Plasmodium?falciparum?hexose transporter)-specific inhibitor and a potential anti-malarial agent . MMV009085 is also a human glucose transporter inhibitor, it has high potency in inhibiting both glucose uptake (IC50: 2.6 μM in glucose uptake assay) and growth of the parasites (EC50: 1.23±0.04 μM against 3D7)[1].
4,17,19-trihydroxy-11-methyl-2,13-dioxo-12-oxa-6-thiatricyclo[13.4.0.0³,⁷]nonadeca-1(19),15,17-triene-4-carboxylic acid
(11s,12r,15s,16s)-4,11,14-trihydroxy-15-(4-hydroxyphenyl)-13-oxa-2,9-diazatetracyclo[8.7.0.0³,⁸.0¹²,¹⁶]heptadeca-1,3,5,7,9-pentaene-14-carboxylic acid
7-(4-hydroxy-3-methoxyphenyl)-4,6-dimethoxy-2-(prop-1-en-2-yl)-2h,3h-furo[3,2-g]chromen-5-one
11,11-dimethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,10-dioxatricyclo[7.4.0.0²,⁶]trideca-1(9),2(6),7-triene-5,13-dione
methyl (1r,9r,10r,12r)-4-methoxy-15,20-dioxo-19-oxa-8,16-diazahexacyclo[8.8.2.2⁹,¹².0¹,⁹.0²,⁷.0¹²,¹⁶]docosa-2,4,6,13-tetraene-8-carboxylate
(4r,8s)-18-hydroxy-15-(3-hydroxy-3-methylbutyl)-2-methoxy-7,9,13-trioxapentacyclo[10.8.0.0³,¹⁰.0⁴,⁸.0¹⁴,¹⁹]icosa-1,3(10),5,11,14,16,18-heptaen-20-one
9-(2h-1,3-benzodioxol-5-yl)-5-hydroxy-4,6,8-trimethoxy-3h-naphtho[2,3-c]furan-1-one
methyl (1s,12r,19r,21r,24r)-21-hydroxy-20-oxo-5,7-dioxa-2,15-diazaheptacyclo[17.2.2.1¹²,¹⁵.0¹,¹².0³,¹¹.0⁴,⁸.0¹⁹,²⁴]tetracosa-3,8,10,17-tetraene-21-carboxylate
(2r)-7-(4-hydroxy-3-methoxyphenyl)-4,6-dimethoxy-2-(prop-1-en-2-yl)-2h,3h-furo[3,2-g]chromen-5-one
9-(2h-1,3-benzodioxol-5-yl)-5-hydroxy-4,6,7-trimethoxy-3h-naphtho[2,3-c]furan-1-one
methyl 2-ethyl-4,5,7,10-tetrahydroxy-6,11-dioxo-3,4-dihydrotetracene-1-carboxylate
(6-acetyl-7-hydroxy-2-methylchromen-2-yl)methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
(3s)-1,7-bis(3,4-dihydroxyphenyl)-5-oxoheptane-3-sulfonic acid
(3s)-9-(2h-1,3-benzodioxol-5-yl)-4-hydroxy-3,6,7-trimethoxy-3h-naphtho[2,3-c]furan-1-one
(6r)-8,9-dihydroxy-3-[(1e)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-6-methoxy-6h-pyrano[4,3-c]isochromen-1-one
(4s,8s,10s)-2,12-dihydroxy-16-[(1s)-1-hydroxyethyl]-10-methyl-5,9-dioxapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁵,²⁰]henicosa-1,3(11),12,15(20),16,18-hexaene-6,14,21-trione
2,12-dihydroxy-16-(1-hydroxyethyl)-10-methyl-5,9-dioxapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁵,²⁰]henicosa-1,3(11),12,15(20),16,18-hexaene-6,14,21-trione
22-hydroxy-6,7-dimethoxy-18,18-dimethyl-10,13,17-trioxapentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁶,²¹]docosa-1(14),4(9),5,7,15,19,21-heptaen-2-one
(1s,6s,13s,21s)-21-hydroxy-16,17-dimethoxy-6-(prop-1-en-2-yl)-2,7,20-trioxapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁴,¹⁹]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one
12alpha-hudroxyrotenone
{"Ingredient_id": "HBIN000704","Ingredient_name": "12alpha-hudroxyrotenone","Alias": "NA","Ingredient_formula": "C23H22O7","Ingredient_Smile": "CC(=C)C1CC2=C(O1)C=CC3=C2OC4COC5=CC(=C(C=C5C4(C3=O)O)OC)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31268","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
12α-hydroxyrotenone
{"Ingredient_id": "HBIN000713","Ingredient_name": "12\u03b1-hydroxyrotenone","Alias": "NA","Ingredient_formula": "C23H22O7","Ingredient_Smile": "CC(=C)C1CC2=C(O1)C=CC3=C2OC4COC5=CC(=C(C=C5C4(C3=O)O)OC)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10679","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1,3,7,8-tetrahydroxy xanthones
{"Ingredient_id": "HBIN001106","Ingredient_name": "1,3,7,8-tetrahydroxy xanthones","Alias": "NA","Ingredient_formula": "C23H22O7","Ingredient_Smile": "CC(=CCC1=C2C(=C(C(=C1O)O)O)OC3=CC4=C(CC(O4)C(=C)C)C(=C3C2=O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "43025","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
anticancer flavonoid pmv70p691-105
{"Ingredient_id": "HBIN016333","Ingredient_name": "anticancer flavonoid pmv70p691-105","Alias": "NA","Ingredient_formula": "C23H22O7","Ingredient_Smile": "CC1(C=CC2=C(C(=C(C=C2O1)OC)C(=O)C=C(C3=CC4=C(C=C3)OCO4)O)OC)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1408","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
