Exact Mass: 566.1447
Exact Mass Matches: 566.1447
Found 379 metabolites which its exact mass value is equals to given mass value 566.1447
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Ginkgetin
Ginkgetin is a biflavonoid that is the 7,4-dimethyl ether derivative of amentoflavone. Isolated from Ginkgo biloba and Dioon, it exhibits anti-HSV-1, antineoplastic and inhibitory activities towards arachidonate 5-lipoxygenase and cyclooxygenase 2. It has a role as an anti-HSV-1 agent, a cyclooxygenase 2 inhibitor, an EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor, an antineoplastic agent and a metabolite. It is a biflavonoid, a hydroxyflavone, a methoxyflavone and a ring assembly. It is functionally related to an amentoflavone. Ginkgetin is a natural product found in Selaginella sinensis, Selaginella willdenowii, and other organisms with data available. A biflavonoid that is the 7,4-dimethyl ether derivative of amentoflavone. Isolated from Ginkgo biloba and Dioon, it exhibits anti-HSV-1, antineoplastic and inhibitory activities towards arachidonate 5-lipoxygenase and cyclooxygenase 2. From Ginkgo biloba (ginkgo). Ginkgetin is found in ginkgo nuts and fats and oils. Ginkgetin is found in fats and oils. Ginkgetin is from Ginkgo biloba (ginkgo Ginkgetin, a biflavone, is isolated from Ginkgo biloba leaves. Ginkgetin exhibit anti-tumor, anti-inflammatory, neuroprotective, anti-fungal activities. Ginkgetin is also a potent inhibitor of Wnt signaling, with an IC50 of 5.92 μΜ[1][2][3][4][5]. Ginkgetin, a biflavone, is isolated from Ginkgo biloba leaves. Ginkgetin exhibit anti-tumor, anti-inflammatory, neuroprotective, anti-fungal activities. Ginkgetin is also a potent inhibitor of Wnt signaling, with an IC50 of 5.92 μΜ[1][2][3][4][5].
Jamaicamide A
Blue VRS
D004396 - Coloring Agents > D012394 - Rosaniline Dyes V - Various > V04 - Diagnostic agents
Isoginkgetin
Isoginkgetin is a biflavonoid resulting from the formal oxidative dimerisation between position 8 of one molecule of 5,7-dihydroxy-4-methoxyflavone and the 3 position of another. Found in the leaves of Ginkgo biloba, it is a potent inhibitor of matrix metalloproteinase 9 (MMP-9). It has a role as an EC 3.4.24.35 (gelatinase B) inhibitor, an antineoplastic agent and a plant metabolite. It is a biflavonoid and an aromatic ether. It is functionally related to a 5,7-dihydroxy-4-methoxyflavone. Isoginkgetin is a natural product found in Podocarpus latifolius, Sciadopitys verticillata, and other organisms with data available. A biflavonoid resulting from the formal oxidative dimerisation between position 8 of one molecule of 5,7-dihydroxy-4-methoxyflavone and the 3 position of another. Found in the leaves of Ginkgo biloba, it is a potent inhibitor of matrix metalloproteinase 9 (MMP-9). From leaves of Ginkgo biloba (ginkgo). Isoginkgetin is found in ginkgo nuts and fats and oils. Isoginkgetin is found in fats and oils. Isoginkgetin is from leaves of Ginkgo biloba (ginkgo Isoginkgetin is a pre-mRNA splicing inhibitor inhibitor. Isoginkgetin also inhibits activities of both Akt, NF-κB and MMP-9. Isoginkgetin inhibits the activity of the 20S proteasome, induces apoptosis and activates autophagy[1][2]. Isoginkgetin is a pre-mRNA splicing inhibitor inhibitor. Isoginkgetin also inhibits activities of both Akt, NF-κB and MMP-9. Isoginkgetin inhibits the activity of the 20S proteasome, induces apoptosis and activates autophagy[1][2]. Isoginkgetin is a pre-mRNA splicing inhibitor inhibitor. Isoginkgetin also inhibits activities of both Akt, NF-κB and MMP-9. Isoginkgetin inhibits the activity of the 20S proteasome, induces apoptosis and activates autophagy[1][2].
Gladiatoside C1
Gladiatoside C1 is found in pulses. Gladiatoside C1 is a constituent of the seeds of Canavalia gladiata (sword bean). Constituent of the seeds of Canavalia gladiata (sword bean). Gladiatoside C1 is found in pulses.
Gladiatoside C2
Gladiatoside C2 is found in pulses. Gladiatoside C2 is a constituent of the seeds of Canavalia gladiata (sword bean). Constituent of the seeds of Canavalia gladiata (sword bean). Gladiatoside C2 is found in pulses.
Mulberroside F
Constituent of the leaves of Morus alba (white mulberry). Mulberroside F is found in fats and oils and herbs and spices. Mulberroside F is found in fats and oils. Mulberroside F is a constituent of the leaves of Morus alba (white mulberry).
5'-Hydroxycastavinol
5-Hydroxycastavinol is found in alcoholic beverages. 5-Hydroxycastavinol is isolated from a Bordeaux red win
Cassiaside B
Isolated from seeds of Cassia tora (charota). Cassiaside B is found in coffee and coffee products, herbs and spices, and pulses. Cassiaside B is found in coffee and coffee products. Cassiaside B is isolated from seeds of Cassia tora (charota).
3,4,5-trihydroxy-6-{4-[(E)-2-(3-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethenyl]phenoxy}oxane-2-carboxylic acid
3,4,5-trihydroxy-6-{4-[(e)-2-(3-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethenyl]phenoxy}oxane-2-carboxylic acid is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 2-{3-hydroxy-5-[(e)-2-(4-hydroxyphenyl)ethenyl]phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol. It is generated by UDP-glucuronosyltransferase 1-1 (P22309) enzyme via an aromatic-OH-glucuronidation reaction. This aromatic-OH-glucuronidation occurs in humans.
3,4,5-trihydroxy-6-{3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid
3,4,5-trihydroxy-6-{3-[(e)-2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 2-{3-hydroxy-5-[(e)-2-(4-hydroxyphenyl)ethenyl]phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol. It is generated by UDP-glucuronosyltransferase 1-1 (P22309) enzyme via an aromatic-OH-glucuronidation reaction. This aromatic-OH-glucuronidation occurs in humans.
Apigenin 7-di-O-xyloside
Apigenin 7-di-o-xyloside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Apigenin 7-di-o-xyloside can be found in olive, which makes apigenin 7-di-o-xyloside a potential biomarker for the consumption of this food product.
MulberrosideF
Mulberroside F is a member of benzofurans. Mulberroside F is a natural product found in Morus alba with data available.
6,6-Bigenkwanin
2)-xyloside
Isoporiolide
5,5-Dihydroxy-3,6,7,2,4-pentamethoxyflavone 5-glucoside
Chrysosplenoside H
4-Methoxy-3,3,5-trihydroxystilbene 3-O-beta-D-(2-O-p-coumaryl)-glucopyranoside
Isoorientin 6'-O-alpha-L-arabinoside
methyl (4S,5E,6S)-5-ethylidene-4-[2-oxo-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
(5S,6R,7R,8S)-2-(2-Phenylethyl)-5,6,7-tri-hydroxy-5,6,7,8-tetrahydro-8-[2-(2-phenylethyl)chromonyl-6-oxy]chromone (AH13)|(5S,6R,7R,8S)-2-(2-phenylethyl)-5,6,7-trihydroxy-5,6,7,8-tetrahydro-8-<2-(2-phenylethyl)chromonyl-6-oxy>chromone|(5S,6R,7R,8S)-2-(2-phenylethyl)-5,6,7-trihydroxy-5,6,7,8-tetrahydro-8-[2-(2-phenylethyl)chromonyl-6-oxy]chromone|AH13
(1aR,1bS,2S,5aS,6S,6aS)-2-[(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-1a,1b,2,5a,6,6a-hexahydro-6-hydroxy-1a-methyloxireno[4,5]cyclopenta[1,2-c]pyran-5-carboxylic acid methyl ester|6-O-beta-D-glucopyranosylphlorigidoside C
7-O-(alpha-L-Arabinosyl-beta-D-glucopyranoside)-(S)-4,5,7-Trihydroxyflavanone
1-O-[beta-D-xylopyranosyl-(1?6)-beta-D-glucopyranosyl]-3,5-dimethoxyxanthone|3,5-Dimethoxy-1-O-primeverosylxanthone
(5S,6S,7S,8R)-2-(2-phenylethyl)-6,7,8-trihydroxy-5,6,7,8-tetrahydro-5-<2-(2-phenylethyl)chromonyl-6-oxy>chromone|(5S,6S,7S,8R)-2-(2-phenylethyl)-6,7,8-trihydroxy-5,6,7,8-tetrahydro-5-[2-(2-phenylethyl)chromonyl-6-oxy]chromone|(5S,6S,7S,8R)-2-(2-Phenylethyl)-6,7,8-trihydroxy-5,6,7,8-tetrahydro-5-[2-(2-phenylethyl)chromonyl-6-oxy]chromone (AH14)|AH10
6-O-[(E)-caffeoyl]deacetylasperuloside acid methyl ester|methyl (1S,4aS,5S,7aS)-1-[(6-O-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranosyl)oxy]-1,4a,5,7a-tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopenta[c]pyran-4-carboxylate
8-C-alpha-L-arabinopyranosyl-7-O-beta-D-glucopyranosylnaringenin
A glycosyloxyflavone and a flavone C-glycoside that is (S)-naringenin substituted by a beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage and a alpha-L-arabinopyranosyl residue at position 8. It has been isolated from the roots and leaves of Petrorhagia velutina.
(rel)-(1R,4aS,8S,8aS)-8-[(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-4,4a,8,8a-tetrahydro-1-methyl-3-oxo-1H,3H-pyrano[3,4-c]pyran-5-carboxylic acid methyl ester|lamiuamplexoside B
naringenin 7-O-(2-beta-D-apiofuranosyl)-beta-D-glucopyranoside|naringenin-7-O-(2-O-beta-D-apiofuranosyl)-beta-D-glucopyranoside
Isoginkgetin
Isoginkgetin is a pre-mRNA splicing inhibitor inhibitor. Isoginkgetin also inhibits activities of both Akt, NF-κB and MMP-9. Isoginkgetin inhibits the activity of the 20S proteasome, induces apoptosis and activates autophagy[1][2]. Isoginkgetin is a pre-mRNA splicing inhibitor inhibitor. Isoginkgetin also inhibits activities of both Akt, NF-κB and MMP-9. Isoginkgetin inhibits the activity of the 20S proteasome, induces apoptosis and activates autophagy[1][2]. Isoginkgetin is a pre-mRNA splicing inhibitor inhibitor. Isoginkgetin also inhibits activities of both Akt, NF-κB and MMP-9. Isoginkgetin inhibits the activity of the 20S proteasome, induces apoptosis and activates autophagy[1][2].
Naringenin-4-O-beta-glucopyranosyl-alpha-xylopyranosid
quercetin 7-O-beta-D-apiofuranosyl-(1->2)-beta-D-xylopyranoside
10-demethylflavasperone-10-O-beta-D-apiofuranosyl-(1->6)-O-beta-D-glucopyranoside
Eriodictyol 5-methyl ether 7-O-xylosyl-(1->4)-arabinoside
monodictyochromone A
A chromanone isolated from the marine derived fungus Monodictys putredinis and exhibits inhibitory activity against P450.
4-O-(beta-D-Xylopyranosyl-beta-D-glucopyranoside)--6-p-Coumaroylprunin-4,5,7-Trihydroxyflavanone
3-O-(Arabinosyl-D-xyloside)-3,3,4,5,7-Pentahydroxyflavone|3-O-Dixyloside-3,3,4,5,7-Pentahydroxyflavone
3-O-(8-Z-methylcaffeoyl)rosmarinic acid methyl ester|clerodendranoic acid
6-O-(5-O-p-coumaroyl)-beta-d-apiofuranosyl-beta-d-glucopyranoside|maltol 6-O-(5-O-p-coumaroyl)-(1->6)-beta-D-apiofranosyl-beta-D-glucopyranoside
6-O-[(6-O-malonyl)-beta-D-glucopyranosyl]-2-hydroxy -5-methoxy-7-phenylphenalen-1-one
apigenin-6-C-alpha-L-arabinopyranosyl-8-C-beta-L-arabinopyranoside
6-O-[(6-O-malonyl)-beta-D-glucopyranosyl]-2-methoxy-5-hydroxy-7-phenylphenalen-1-one
pinobankasin-6-C-glucopyranosyl-8-C-arabinopyranoside
2?-hydroxy-4?-methoxydibenzoyl-4?-O-beta-D-xylopyranosyl-(1?6)-beta-D-glucopyranoside|sophodibenzoside D
3-O-rhamnocitrin-6-O-benzoyl-beta-D-glucopyranoside
2?-hydroxy-4?-methoxydibenzoyl-4?-O-beta-D-apiofuranosyl-(1?6)-beta-D- glucopyranoside|sophodibenzoside E
(-)-catechin-3-O-gallolyl-(4beta->2) phloroglucinol|epicatechin-3-O-gallat-(4beta-2)-phloroglucinol|epicatechin-3-O-gallate-(4beta-2)-phloroglucinol|epicatechin-3-O-gallate-(4beta->2)-phloroglucinol
E-3-[3-(benzoyloxymethyl)-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-2,3-dihydrobenzo[b]furan-5-yl]prop-2-enyl benzoate
Quercetin 3-xylosyl-(1->2)-alpha-L-arabinofuranoside
callophycoic acid H
A monohydroxybenzoic acid that is 3-bromo-4-hydroxybenzoic acid substituted at position 5 by a decahydronaphthalen-1-ylmethyl group which in turn is substituted by a bromo, two methyl groups, a methylidene and a 4-methylpent-3-en-1-yl group at positions 6, 5, 8a, 2 and 5 respectively. A diterpenoid isolated from the Fijian red alga Callophycus serratus, it exhibits antibacterial, antimalarial and anticancer activities.
6-O-[(6-O-allophanyl)-beta-D-glucopyranosyl]-5-hydroxy-2-methoxy-7-phenylphenalen-1-one
monodictyochromone B
A chromanone isolated from the marine derived fungus Monodictys putredinis and exhibits inhibitory activity against P450.
5-Hydroxy-7-methoxyflavone-(4 ->O-> 8)-5,7-dihydroxy-4-methoxyflavone
3,6,7,2,4-pentamethylquercetagetin 3-O-beta-D-glucoside
CassiasideB
Cassiaside B is a natural product found in Senna obtusifolia with data available.
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxolan-2-yl]oxychromen-4-one
(4S,5Z,6S)-5-[2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyethylidene]-4-(2-methoxy-2-oxoethyl)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid
C23H34O16_beta-D-Glucopyranose, 1-[2-[(2S,3E,4S)-3-ethylidene-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-2H-pyran-4-yl]acetate]
(4S,5Z,6S)-5-[2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyethylidene]-4-(2-methoxy-2-oxoethyl)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid
(4S,5Z,6S)-5-[2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyethylidene]-4-(2-methoxy-2-oxoethyl)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid [IIN-based: Match]
methyl (4S,5E,6S)-5-ethylidene-4-[2-oxo-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate_major
methyl (4S,5E,6S)-5-ethylidene-4-[2-oxo-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate_98.3\\%
(4S,5Z,6S)-5-[2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyethylidene]-4-(2-methoxy-2-oxoethyl)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid_major
Quercetin 3-apiosyl-(1->2)-alpha-L-arabinopyranoside
5'-Hydroxycastavinol
Gladiatoside C2
Gladiatoside C1
Cassiaside B
Mulberroside F
Sulfan Blue
D004396 - Coloring Agents > D012394 - Rosaniline Dyes V - Various > V04 - Diagnostic agents
Amlodipine besylate
C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C333 - Calcium Channel Blocker D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker
2-(2-Chloro-5-(((2S)-3-(5-chloro-2,3-dihydrospiro(benzofuran-2,4-piperidin)-1-yl)-2-hydroxypropyl)oxy)-4-((methylamino)carbonyl)phenoxy)-2-methylpropanoic acid
1-{[4,5-Bis(4-chlorophenyl)-2-(2-isopropoxy-4-methoxyphenyl)-4,5-dihydro-1H-imidazol-1-YL]carbonyl}piperazine
Prednisolone sodium metazoate
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid
Ginkgetin
Ginkgetin, a biflavone, is isolated from Ginkgo biloba leaves. Ginkgetin exhibit anti-tumor, anti-inflammatory, neuroprotective, anti-fungal activities. Ginkgetin is also a potent inhibitor of Wnt signaling, with an IC50 of 5.92 μΜ[1][2][3][4][5]. Ginkgetin, a biflavone, is isolated from Ginkgo biloba leaves. Ginkgetin exhibit anti-tumor, anti-inflammatory, neuroprotective, anti-fungal activities. Ginkgetin is also a potent inhibitor of Wnt signaling, with an IC50 of 5.92 μΜ[1][2][3][4][5].
Dehydrodiconiferyl dibenzoate
A lignan that is 2,3-dihydro-1-benzofuran substituted by a (benzoyloxy)methyl group at position 3, a 4-hydroxy-3-methoxyphenyl group at position 2, a methoxy group at position 7 and a 3-(benzoyloxy)prop-1-en-1-yl group at position 5. It is isolated as a racemate from Euterpe precatoria and exhibits antiplasmodial activity.
2-chloro-N-[3-[4-[3-[[(2-chloro-5-nitrophenyl)-oxomethyl]amino]propyl]-1-piperazinyl]propyl]-5-nitrobenzamide
4-(4-Methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline dimaleate
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists
N-[3-(dimethylamino)propyl]-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-[methyl-(phenylmethyl)sulfamoyl]benzamide
4-fluoro-N-[[(4S,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-8-(4-methylpent-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzenesulfonamide
4-fluoro-N-[[(4R,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-8-(4-methylpent-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzenesulfonamide
4-fluoro-N-[[(4S,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-8-(4-methylpent-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzenesulfonamide
4-fluoro-N-[[(4R,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-8-(4-methylpent-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzenesulfonamide
N-[[(4R,5S)-2-[(2R)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-4-methoxy-N-methylbenzenesulfonamide
4-fluoro-N-[[(4R,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-8-(4-methylpent-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzenesulfonamide
4-fluoro-N-[[(4S,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-8-(4-methylpent-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzenesulfonamide
N-[[(4S,5S)-2-[(2R)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-4-methoxy-N-methylbenzenesulfonamide
N-[[(4R,5R)-2-[(2S)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-4-methoxy-N-methylbenzenesulfonamide
N-[[(4S,5R)-2-[(2R)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-4-methoxy-N-methylbenzenesulfonamide
N-[[(4R,5S)-2-[(2S)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-4-methoxy-N-methylbenzenesulfonamide
N-[[(4S,5S)-2-[(2S)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-4-methoxy-N-methylbenzenesulfonamide
N-[[(4S,5R)-2-[(2S)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-4-methoxy-N-methylbenzenesulfonamide
N-[[(4R,5R)-2-[(2R)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-4-methoxy-N-methylbenzenesulfonamide
4-fluoro-N-[[(4R,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-8-(4-methylpent-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzenesulfonamide
4-fluoro-N-[[(4S,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-8-(4-methylpent-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzenesulfonamide
(E)-1-[4-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-2-hydroxyphenyl]-3-(3,4-dihydroxyphenyl)prop-2-en-1-one
(1S,16S,18S,19S)-5,10,16,17,18,23-hexahydroxy-22-methyl-13,20,27,30-tetraoxahexacyclo[19.5.3.12,6.17,11.115,19.024,28]dotriaconta-2(32),3,5,7(31),8,10,21(29),22,24(28)-nonaene-12,25-dione
5-[(E)-2-[(2S,3R,4S)-5-carboxy-3-ethenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]ethenyl]-1-(3-carboxypropyl)pyridin-1-ium-3-carboxylic acid
(E,9E)-14-bromo-9-(chloromethylidene)-N-[(E)-3-methoxy-5-[(2S)-2-methyl-5-oxo-2H-pyrrol-1-yl]-5-oxopent-3-enyl]-6-methyltetradec-4-en-13-ynamide
3,4,5-trihydroxy-6-{4-[(E)-2-(3-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethenyl]phenoxy}oxane-2-carboxylic acid
CGP 20712 (dihydrochloride)
CGP 20712 dihydrochloride is a highly selective β1-adrenoceptor antagonist with an IC50 of 0.7 nM. CGP 20712 dihydrochloride exhibits ~10,000-fold selectivity over β2-adrenoceptors[1].
(16s,19s)-5,10,16,17,18,23-hexahydroxy-22-methyl-13,20,27,30-tetraoxahexacyclo[19.5.3.1²,⁶.1⁷,¹¹.1¹⁵,¹⁹.0²⁴,²⁸]dotriaconta-2,4,6(32),7,9,11(31),21,23,28-nonaene-12,25-dione
(1s,4ar,7s,7as)-7-hydroxy-7-({[(2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}methyl)-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,7ah-cyclopenta[c]pyran-4-carboxylic acid
7-{3-[1-carboxy-2-(4-hydroxy-3-methoxyphenyl)ethoxy]-3-oxoprop-1-en-1-yl}-3-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid
(1s,15s,16r,17s,18r,19s)-5,10,16,17,18,23-hexahydroxy-22-methyl-13,20,27,30-tetraoxahexacyclo[19.5.3.1²,⁶.1⁷,¹¹.1¹⁵,¹⁹.0²⁴,²⁸]dotriaconta-2,4,6(32),7,9,11(31),21,23,28-nonaene-12,25-dione
14-bromo-9-(chloromethylidene)-n-[3-methoxy-5-(2-methyl-5-oxo-2h-pyrrol-1-yl)-5-oxopent-3-en-1-yl]-6-methyltetradec-4-en-13-ynimidic acid
(9s,9's)-2,2',4,4',5,5'-hexahydroxy-7,7'-dipropyl-9h,9'h-[9,9'-bianthracene]-10,10'-dione
methyl (1s,2r,4s,5s,6s,10s)-5-hydroxy-2-methyl-10-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-ene-7-carboxylate
(2s,3r)-5-[(1e)-3-[(1r)-1-carboxy-2-(4-hydroxy-3-methoxyphenyl)ethoxy]-3-oxoprop-1-en-1-yl]-7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-1-benzofuran-3-carboxylic acid
5,7-dihydroxy-8-[2-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)-5-methoxyphenyl]-2-(4-hydroxyphenyl)chromen-4-one
(2s)-7-{[(2s,3r,4s,5s,6r)-3-{[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzopyran-4-one
(4e,9e)-14-bromo-9-(chloromethylidene)-n-[(3e)-3-methoxy-5-(2-methyl-5-oxo-2h-pyrrol-1-yl)-5-oxopent-3-en-1-yl]-6-methyltetradec-4-en-13-ynimidic acid
8-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-methoxyphenyl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
(2e)-3-[(2r,3s)-3-[(benzoyloxy)methyl]-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-en-1-yl benzoate
(16s,19s)-5,16,17,18,23,31-hexahydroxy-22-methyl-13,20,27,30-tetraoxahexacyclo[19.5.3.1²,⁶.1⁷,¹¹.1¹⁵,¹⁹.0²⁴,²⁸]dotriaconta-2,4,6(32),7,9,11(31),21,23,28-nonaene-12,25-dione
3,5,7-trihydroxy-8-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}-2-(4-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}phenyl)chromen-4-one
5,5'-dihydroxy-2,2'-bis(4-hydroxyphenyl)-7,7'-dimethoxy-[8,8'-bichromene]-4,4'-dione
6-{[(2s,3r,4s,5s,6r)-6-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5-hydroxy-8-methoxy-2-methylbenzo[g]chromen-4-one
methyl (2r,3r)-2-(3,4-dihydroxyphenyl)-4-[(1e)-3-{[(2r)-3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]oxy}-3-oxoprop-1-en-1-yl]-7-hydroxy-2,3-dihydro-1-benzofuran-3-carboxylate
3,5-dimethoxy-1-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]xanthen-9-one
7-{[(2s,3r,4s,5r)-3-{[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-3,5-dihydroxychromen-4-one
3-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
5,5',7'-trihydroxy-2'-(4-hydroxyphenyl)-7-methoxy-2-(4-methoxyphenyl)-[3,6'-bichromene]-4,4'-dione
3-{[(2s,3r,4s,5s)-3-{[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
2,2',8,8'-tetrahydroxy-6,6'-dimethoxy-3,3'-dimethyl-[1,1'-bianthracene]-9,9',10,10'-tetrone
3,5,7-trihydroxy-8-[(3,4,5-trihydroxyoxan-2-yl)oxy]-2-{4-[(3,4,5-trihydroxyoxan-2-yl)oxy]phenyl}chromen-4-one
(4s,5z,6s)-5-(2-{[(2e)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}ethylidene)-4-(2-methoxy-2-oxoethyl)-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,6-dihydropyran-3-carboxylic acid
2-(2-phenylethyl)-6-{[(5s,6s,7r,8s)-6,7,8-trihydroxy-4-oxo-2-(2-phenylethyl)-5,6,7,8-tetrahydrochromen-5-yl]oxy}chromen-4-one
5-hydroxy-6-[5-hydroxy-2-methyl-2-(3-methyl-5-oxooxolan-2-yl)-4-oxo-3h-1-benzopyran-6-yl]-2-(3-hydroxy-5-oxooxolan-2-yl)-2,7-dimethyl-3h-1-benzopyran-4-one
5,7-dihydroxy-3-[2-hydroxy-5-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)phenyl]-2-(4-methoxyphenyl)chromen-4-one
(4s,5e,6s)-5-(2-{[(2z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}ethylidene)-4-(2-methoxy-2-oxoethyl)-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,6-dihydropyran-3-carboxylic acid
7-methyl 4-(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (1s,4as,7s,7as)-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4,7-dicarboxylate
(2s)-7-{[(2s,3r,4s,5s,6r)-6-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzopyran-4-one
(1s,3s,4s)-1,2,4-tris(acetyloxy)-5-cyano-7-hydroxy-3-methyl-6,11-dioxo-1h,2h,3h-benzo[b]carbazol-4-yl 2-methylpropanoate
5-hydroxy-8-[2-hydroxy-5-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)phenyl]-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
10-o-e-feruloylmonotropein
{"Ingredient_id": "HBIN000183","Ingredient_name": "10-o-e-feruloylmonotropein","Alias": "NA","Ingredient_formula": "C26H30O14","Ingredient_Smile": "COC1=C(C=CC(=C1)C=CC(=O)OCC2(C=CC3C2C(OC=C3C(=O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "7779","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2'-o-[β-d-apiofuranosyl(1→2)-β-d-glucopyra-nosyl]isoliquiritigenin
{"Ingredient_id": "HBIN006191","Ingredient_name": "2'-o-[\u03b2-d-apiofuranosyl(1\u21922)-\u03b2-d-glucopyra-nosyl]isoliquiritigenin","Alias": "NA","Ingredient_formula": "C26H30O14","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14338","TCMID_id": "1511","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4',7-dimethylamentoflavone
{"Ingredient_id": "HBIN010111","Ingredient_name": "4',7-dimethylamentoflavone","Alias": "NA","Ingredient_formula": "C32H22O10","Ingredient_Smile": "COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)OC)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6313","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-[(α-apiofuranosyl-(1→6)-o-β-d-glucopyra-nosyl)oxyrubrofusarin]
{"Ingredient_id": "HBIN012199","Ingredient_name": "6-[(\u03b1-apiofuranosyl-(1\u21926)-o-\u03b2-d-glucopyra-nosyl)oxyrubrofusarin]","Alias": "NA","Ingredient_formula": "C26H30O14","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14340","TCMID_id": "1514","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6'-o-e-feruloylmonotropein
{"Ingredient_id": "HBIN012669","Ingredient_name": "6'-o-e-feruloylmonotropein","Alias": "NA","Ingredient_formula": "C26H30O14","Ingredient_Smile": "COC1=C(C=CC(=C1)C=CC(=O)OCC2C(C(C(C(O2)OC3C4C(C=CC4(CO)O)C(=CO3)C(=O)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "7778","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
angustioside
{"Ingredient_id": "HBIN016141","Ingredient_name": "angustioside","Alias": "NA","Ingredient_formula": "C26H30O14","Ingredient_Smile": "COC1=C(C=CC(=C1)C=CC(=O)OC2C(OC(C(C2O)O)OC3C(C4(CCOC(=O)C4=CO3)O)C5CO5)CO)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1251","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5,7′-biphyscion
{"Ingredient_id": "HBIN018539","Ingredient_name": "\uff15,\uff17\u2032-biphyscion","Alias": "NA","Ingredient_formula": "C32H22O10","Ingredient_Smile": "CC1=CC(=C2C(=C1)C(=O)C3=CC(=C(C(=C3C2=O)O)C4=C(C=C5C(=C4O)C(=O)C6=C(C=C(C=C6C5=O)C)O)OC)OC)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42694","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}