Exact Mass: 418.1528642
Exact Mass Matches: 418.1528642
Found 500 metabolites which its exact mass value is equals to given mass value 418.1528642,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Cyclomorusin
Cyclomorusin A is an extended flavonoid that is cyclomulberrin in which the hydroxy group at position 10 has undergone oxidative cyclisation to position 3 of the 3-methylbut-2-en-1-yl substituent, with migration of the double bond into conjugation with the aromatic ring. It is a moderate inhibitor of acetylcholinesterase (IC50 = 16.2 - 36.6 muM), and a strong inhibitor of platelet-activating factor (PAF; 1-O-alkyl-2-acetyl-sn-glycero-3-phosphocholine) induced platelet aggregation. It has a role as a plant metabolite, an EC 3.1.1.7 (acetylcholinesterase) inhibitor, a platelet aggregation inhibitor and an EC 1.14.18.1 (tyrosinase) inhibitor. It is an extended flavonoid, an organic heteropentacyclic compound, a cyclic ketone and a polyphenol. It is functionally related to a cyclomulberrin. Cyclomorusin is a natural product found in Artocarpus altilis, Morus lhou, and other organisms with data available. An extended flavonoid that is cyclomulberrin in which the hydroxy group at position 10 has undergone oxidative cyclisation to position 3 of the 3-methylbut-2-en-1-yl substituent, with migration of the double bond into conjugation with the aromatic ring. It is a moderate inhibitor of acetylcholinesterase (IC50 = 16.2 - 36.6 muM), and a strong inhibitor of platelet-activating factor (PAF; 1-O-alkyl-2-acetyl-sn-glycero-3-phosphocholine) induced platelet aggregation. Isolated from the root bark of Morus alba (white mulberry)and is also from Artocarpus altilis (breadfruit). Cyclomorusin is found in breadfruit and fruits. Cyclomorusin is found in breadfruit. Cyclomorusin is isolated from the root bark of Morus alba (white mulberry). Also from Artocarpus altilis (breadfruit
Nimodipine
Nimodipine is a 1,4-dihydropyridine calcium channel blocker. It acts primarily on vascular smooth muscle cells by stabilizing voltage-gated L-type calcium channels in their inactive conformation. By inhibiting the influx of calcium in smooth muscle cells, nimodipine prevents calcium-dependent smooth muscle contraction and subsequent vasoconstriction. Compared to other calcium channel blocking agents, nimodipine exhibits greater effects on cerebral circulation than on peripheral circulation. Nimodipine is used to as an adjunct to improve the neurologic outcome following subarachnoid hemorrhage from ruptured intracranial aneurysm. C - Cardiovascular system > C08 - Calcium channel blockers > C08C - Selective calcium channel blockers with mainly vascular effects > C08CA - Dihydropyridine derivatives 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
(+)-Syringaresinol
(+)-syringaresinol is a member of the class of compounds known as furanoid lignans. Furanoid lignans are lignans with a structure that contains either a tetrahydrofuran ring, a furan ring, or a furofuan ring system, that arises from the joining of the two phenylpropanoid units (+)-syringaresinol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (+)-syringaresinol can be found in a number of food items such as radish (variety), grape wine, oat, and ginkgo nuts, which makes (+)-syringaresinol a potential biomarker for the consumption of these food products.
Lirioresinol A
Syringaresinol is a lignan that is 7,9:7,9-diepoxylignane substituted by hydroxy groups at positions 4 and 4 and methoxy groups at positions 3, 3, 5 and 5 respectively. It has a role as a plant metabolite. It is a lignan, a polyphenol, an aromatic ether, a furofuran and a polyether. Syringaresinol is a natural product found in Dracaena draco, Ficus septica, and other organisms with data available. A lignan that is 7,9:7,9-diepoxylignane substituted by hydroxy groups at positions 4 and 4 and methoxy groups at positions 3, 3, 5 and 5 respectively. Isolated from Artemisia absinthium (wormwood). Lirioresinol A is found in alcoholic beverages and herbs and spices. Lirioresinol A is found in alcoholic beverages. Lirioresinol A is isolated from Artemisia absinthium (wormwood).
Oleoside dimethyl ester
Constituent of Olea europaea (olive). Oleoside dimethyl ester is found in many foods, some of which are pomes, herbs and spices, olive, and fats and oils. Oleoside dimethyl ester is found in fats and oils. Oleoside dimethyl ester is a constituent of Olea europaea (olive)
Cudraflavone A
Cudraflavone A is found in fruits. Cudraflavone A is isolated from Artocarpus altilis (breadfruit
(R)-Byakangelicinn 2'-(3-methylbutanoate)
(R)-Byakangelicinn 2-(3-methylbutanoate) is found in fats and oils. (R)-Byakangelicinn 2-(3-methylbutanoate) is a constituent of angelica (Angelica archangelica) root. Constituent of angelica (Angelica archangelica) root. (R)-Byakangelicinn 2-(3-methylbutanoate) is found in fats and oils, herbs and spices, and green vegetables.
3-Pyridinemethanamine, 5-(3-(4,6-difluoro-1H-benzimidazol-2-yl)-1H-indazol-5-yl)-N-ethyl-4-methyl-
C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C2185 - Cyclin-Dependent Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent
5-O-(2-Methoxyethyl) 3-O-propan-2-yl (4S)-2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylate
Vatinoxan
C20H26N4O4S (418.16746760000007)
Theasaponin E5
C21H26N2O5S (418.15623460000006)
Theasaponin e5 is a member of the class of compounds known as benzenesulfonamides. Benzenesulfonamides are organic compounds containing a sulfonamide group that is S-linked to a benzene ring. Theasaponin e5 is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Theasaponin e5 can be found in tea, which makes theasaponin e5 a potential biomarker for the consumption of this food product.
Kuguacin B
Kuguacin b is a member of the class of compounds known as phenol ethers. Phenol ethers are aromatic compounds containing an ether group substituted with a benzene ring. Kuguacin b is practically insoluble (in water) and a moderately basic compound (based on its pKa). Kuguacin b can be found in bitter gourd, which makes kuguacin b a potential biomarker for the consumption of this food product.
(E)-3-(1,3-Benzodioxol-5-yl)-7-[(3,7-dimethyl-2,6-octadienyl)oxy]-4H-1-benzopyran-4-one
Nitiducarpin
3alpha,4alpha-Epoxy-9beta-hydroxy-8beta-(5-acetoxy-tiglinoyloxy)-3,4-dihydro-lasiolaenin
3alpha,4alpha-Epoxy-8beta-hydroxy-9beta-(5-acetoxy-tiglinoyloxy)-3,4-dihydro-lasiolaenin
Warangalone 4-methyl ether
5-O-Methyl-4-O-(3-methylbut-2-enyl)alpinumisoflavone
gangetinin
Millettin
Nallanin
Ulexin C
Cyclomorusin
Isocyclomorusin
Flavaspidic acid AB
A polyphenol that is a phloroglucinol derivative isolated from the rhizomes of Dryopteris crassirhizoma and has been shown to exhibit radical scavenging and antibacterial activity.
Solvent green 3
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 1071
(+)-(7S,8S,8S)-3,4-dihydroxy-2,3,4,5-tetramethoxy-6,9-epoxy-2,7-cyclolignan-9-ol|ovafolinin B
1-O-(D-apio-beta-D-furanosyl-(1->2)-beta-D-glucopyranosyl)orcinol|orcinoside E
7-O-(3,3-dimethylallyl)isodaurinol|7-O-(3-methyl-2-butenyl)isodaurinol
(4R*,8S*,10R*)-1,4-Epoxy-8-tiglyloxy-10-hydroxy-13-acetoxygermacra-1,5E,7(13)-trien-6,12-olide
Dimethyl secologanoside; Secologanoside dimethyl ester
2-hydroxy-3,4-methylenedioxy-5-prenyl-6,6-dimethylpyrano-[3,4:2,3]-chalcone
15-acetoxy-16alpha-(1-methylprop-1Z-enyl)-eremanthanolide
orcinol-1-O-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside|Orcinol-1-O-??-D-apiofuranosyl-(1鈥樏傗垎6)-??-D-glucopyranoside
1-O-(D-apio-beta-D-furanosyl)-3-O-(beta-D-glucopyranosyl)orcinol|orcinoside F
rel-(7alpha,8beta,7alpha,8beta)-5,7,4-trihydroxy-4,6,3,5-tetramethoxy-8,8-epoxy-2,7-cyclolignan|sacidumlignan C
3,4-trans-3-methyl-4-[(3,4-dihydroxy-5-methoxyphenyl)(3,4,5-trimethoxyphenyl)methyl]butyrolactone
9-O-acetyl-8-O-(2,3-epoxy-2-methylbutyryl)-desacyl-heliopsolide|9-O-acetyl-8-O-<2,3-epoxy-2-methylbutyryl>-desacyl-heliopsolide
2,6,2,6-tetramethoxy-4,4-bis(2,3-epoxy-1-hydroxypropyl)biphenyl
nygerone A
A member of the class of 4-pyridones that is nigerone B in which the nitrogen of the carboxamide has been acylated by a (3S)-3-carboxybutanoyl group. It has been isolated from Aspergillus niger ATCC 1015.
8beta-(4-hydroxy-5-acetoxy tigloyloxy)-preeupatundin
9beta-hydroxy-8beta-(5-acetoxytiglinoyloxy)-preeupatudin|9beta-hydroxy-8beta-<5-acetoxytiglinoyloxy>-preeupatudin
9beta-acetoxy-2alpha-hydroxy-8-O-(2,3-epoxy-2-methylbutyryl)-desacetyl-zuzubergenin|9beta-acetoxy-2alpha-hydroxy-8-O-<2,3-epoxy-2-methylbutyryl>-desacetyl-zuzubergenin
5beta-acetoxy-1beta,10alpha-epoxy-2-oxo-8beta-tigloyloxygermacra-3Z,11(13)-dien-12,6alpha-olide
desacetylgrazielic acid-(4-acetoxytiglate)|desacetylgrazielic acid-<4-acetoxytiglate>
(all-E)-18-Bromo-8,17,19-tricosatriene-4,6-diynoic acid
(-)-3,6-bis(3,4-dimethoxyphenyl)tetrahydro-1H,3H-furo<3,4-c>furan-1,4-diol|(-)-3,6-bis(3,4-dimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diol
8alpha-acetoxy-9beta-(epoxyangeloyloxy)-4beta-hydroxyguaia-1(10),2,11(13)-triene-6alpha,12-olide|8alpha-acetoxy-9beta--4beta-hydroxyguaia-1(10),2,11(13)-triene-6alpha,12-olide
comazaphilone F
An azaphilone that is 5,6,7,8-tetrahydro-1H-isochromene substituted by a hydroxy group and a methyl group at position 7, an oxo group at position 8, a propyl group at position 3 and a (3,4-dihydroxy-2-methoxy-6-methylbenzoyl)oxy group at position 6. Isolated from Penicillium commune, it exhibits antibacterial and antineoplastic activities.
comazaphilone B
An azaphilone that is 5,6,7,8-tetrahydro-1H-isochromene substituted by a hydroxy group at position 6, a methyl group at position 7, an oxo group at position 8, a propyl group at position 3 and a (3,4-dihydroxy-2-methoxy-6-methylbenzoyl)oxy group at position 7. It has been isolated from Penicillium commune.
Pierreione D
A methoxyisoflavone that is isoflavone substituted by a methoxy group at position 3, a prenyloxy group at position 4 and a dimethylpyran ring fused across positions 6 and 7. Isolated from Antheroporum pierrei, it exhibits antineoplastic activity.
(8S,8S)-4,8-dihydroxy-3,3,4,5-tertramethoxylignan-9,9-olide|5-methoxytrachelogenin
(1S,5S,7S,8S,9S)-10-chloro-7-hydroxy-1,11-diisovaleroxy-5,6-dihydrovaltrate chlorohydrin|chlorovaltrate J
4-methoxyphenol 1-O-beta-D-apiofuranosyl-(1?6)-O-beta-D-glucopyranoside
6,6-Dihydroxy-4,5,4,5-tetramethoxybiphenyl-2,2-di(1-methylacetaldehyde)
4-[(1E)-1-(hydroxymethyl)-3-(4-hydroxyphenyl)prop-1-en-1-yl]phenyl beta-D-glucopyranoside|squadinorlignoside
9beta-acetoxy-8alpha-(2,3-epoxy-2-methylbutyryloxy)-ludartin|9beta-acetoxy-8alpha-<2,3-epoxy-2-methylbutyryloxy>-ludartin
2-C-methyl-D-erythritol 1-O-beta-D-(6-O-4-hydroxybenzoyl)glucopyranoside|2-C-Methyl-D-erythritol 1-O-??-D-(6-O-4-hydroxybenzoyl)glucopyranoside
2-Hydroxy-3-[(4-hydroxy-2-methoxy-6-propylbenzoyl)oxy]-4-methoxy-6-propylbenzoic acid
8beta-hydroxy-9beta-(5-acetoxytiglinoyloxy)-preeupatudin|8beta-hydroxy-9beta-<5-acetoxytiglinoyloxy>-preeupatudin
2,2-Dimethyl-6-acetyl-8-[(2-oxo-4-hydroxy-5-methyl-6-ethyl-2H-pyran-3-yl)methyl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
12R,13S-4,12-dihydroxy-3-methoxy-13-(4-dihydroxy-3-methoxyphenyl)-phenanthropyran|loddigesiinol B
2-carbomethoxy-3-prenyl-1,4-naphthohydroquinone-4-O-D-apioside
(7S,8R)-4,9-dihydroxy-3,3,5-trimethoxy-4,7-epoxy-8,5-neolignan-9-oic acid methyl ester
2-(2,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-3-(3-methyl-2-butenyl)-4H,8H-benzo(1,2-b:3,4-b)dipyran-4-one|morusin
5beta-acetoxy-1beta,10alpha-epoxy-2-oxo-8beta-tigloyloxygermacra-4(15),11(13)-diene-12,6alpha-olide
2alpha,3alpha-epoxy-9-O-acetyl-8-O-angeloyl-desacyl-heliopsolide
Ala Val Asp Asp
C16H26N4O9 (418.16997060000006)
guaiacol O-beta-D-xylopyranosyl-(1->6)-O-beta-D-glucopyranoside
Syringaresinol
(+)-syringaresinol is the (7alpha,7alpha,8alpha,8alpha)-stereoisomer of syringaresinol. It has a role as an antineoplastic agent. It is an enantiomer of a (-)-syringaresinol. (+)-Syringaresinol is a natural product found in Dracaena draco, Diospyros eriantha, and other organisms with data available. See also: Acai fruit pulp (part of). The (7alpha,7alpha,8alpha,8alpha)-stereoisomer of syringaresinol.
Lirioresinol b
(-)-syringaresinol is the (7beta,7beta,8beta,8beta)-stereoisomer of syringaresinol. It is an enantiomer of a (+)-syringaresinol. (-)-Syringaresinol is a natural product found in Pittosporum illicioides, Cinnamomum kotoense, and other organisms with data available. The (7beta,7beta,8beta,8beta)-stereoisomer of syringaresinol. (-)-Syringaresinol, found in stems of Annona Montana, possesses anti-cancer activity[1]. (-)-Syringaresinol, found in stems of Annona Montana, possesses anti-cancer activity[1].
AlbaspidinAP
Albaspidin AP is a natural product found in Dryopteris villarii with data available.
Olivil monoacetate
Pseudolaric Acid C2
pseudolaric acid C2 is a natural product found in Pseudolarix amabilis and Larix kaempferi with data available. Pseudolaric Acid C2, a diterpenoid isolated from Pseudolarix kaempferi, is identified as the specific metabolite of Pseudolaric acid B in plasma, urine, bile and feces after both oral and intravenous administration to rats[1][2]. Pseudolaric Acid C2, a diterpenoid isolated from Pseudolarix kaempferi, is identified as the specific metabolite of Pseudolaric acid B in plasma, urine, bile and feces after both oral and intravenous administration to rats[1][2].
Eupalinolide O
Eupalinolide O is a sesquiterpene lactone with anticancer activities. Eupalinolide O induces cell apoptosis in human MDA-MB-468 breast cancer cells[1].
nimodipine
C - Cardiovascular system > C08 - Calcium channel blockers > C08C - Selective calcium channel blockers with mainly vascular effects > C08CA - Dihydropyridine derivatives 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-acetyl-4-[(3-butanoyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one
4-[(3R,3aR,6S,6aR)-6-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenol
C18H26O11_Methyl (2S,3Z,4S)-3-ethylidene-2-(beta-D-glucopyranosyloxy)-4-(2-methoxy-2-oxoethyl)-3,4-dihydro-2H-pyran-5-carboxylate
syringaresinol
2-acetyl-6-[(3-butanoyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-3,5-dihydroxy-4,4-dimethylcyclohexa-2,5-dien-1-one
4-[(3R,3aR,6S,6aR)-6-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenol [IIN-based: Match]
4-[(3R,3aR,6S,6aR)-6-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenol [IIN-based on: CCMSLIB00000847713]
Ala Ala Glu Glu
C16H26N4O9 (418.16997060000006)
Ala Cys Glu Pro
C16H26N4O7S (418.15221260000004)
Ala Cys Pro Glu
C16H26N4O7S (418.15221260000004)
Ala Asp Asp Val
C16H26N4O9 (418.16997060000006)
Ala Asp Val Asp
C16H26N4O9 (418.16997060000006)
Ala Glu Ala Glu
C16H26N4O9 (418.16997060000006)
Ala Glu Cys Pro
C16H26N4O7S (418.15221260000004)
Ala Glu Glu Ala
C16H26N4O9 (418.16997060000006)
Ala Glu Pro Cys
C16H26N4O7S (418.15221260000004)
Ala Pro Cys Glu
C16H26N4O7S (418.15221260000004)
Ala Pro Glu Cys
C16H26N4O7S (418.15221260000004)
Cys Ala Glu Pro
C16H26N4O7S (418.15221260000004)
Cys Ala Pro Glu
C16H26N4O7S (418.15221260000004)
Cys Cys Pro Pro
Cys Glu Ala Pro
C16H26N4O7S (418.15221260000004)
Cys Glu Pro Ala
C16H26N4O7S (418.15221260000004)
Cys Pro Ala Glu
C16H26N4O7S (418.15221260000004)
Cys Pro Cys Pro
Cys Pro Glu Ala
C16H26N4O7S (418.15221260000004)
Cys Pro Pro Cys
Asp Ala Asp Val
C16H26N4O9 (418.16997060000006)
Asp Ala Val Asp
C16H26N4O9 (418.16997060000006)
Asp Asp Ala Val
C16H26N4O9 (418.16997060000006)
Asp Asp Gly Ile
C16H26N4O9 (418.16997060000006)
Asp Asp Gly Leu
C16H26N4O9 (418.16997060000006)
Asp Asp Ile Gly
C16H26N4O9 (418.16997060000006)
Asp Asp Leu Gly
C16H26N4O9 (418.16997060000006)
Asp Asp Val Ala
C16H26N4O9 (418.16997060000006)
Asp Glu Gly Val
C16H26N4O9 (418.16997060000006)
Asp Glu Val Gly
C16H26N4O9 (418.16997060000006)
Asp Gly Asp Ile
C16H26N4O9 (418.16997060000006)
Asp Gly Asp Leu
C16H26N4O9 (418.16997060000006)
Asp Gly Glu Val
C16H26N4O9 (418.16997060000006)
Asp Gly Ile Asp
C16H26N4O9 (418.16997060000006)
Asp Gly Leu Asp
C16H26N4O9 (418.16997060000006)
Asp Gly Met Pro
C16H26N4O7S (418.15221260000004)
Asp Gly Asn Asn
Asp Gly Pro Met
C16H26N4O7S (418.15221260000004)
Asp Gly Val Glu
C16H26N4O9 (418.16997060000006)
Asp Ile Asp Gly
C16H26N4O9 (418.16997060000006)
Asp Ile Gly Asp
C16H26N4O9 (418.16997060000006)
Asp Leu Asp Gly
C16H26N4O9 (418.16997060000006)
Asp Leu Gly Asp
C16H26N4O9 (418.16997060000006)
Asp Met Gly Pro
C16H26N4O7S (418.15221260000004)
Asp Met Pro Gly
C16H26N4O7S (418.15221260000004)
Asp Asn Gly Asn
Asp Asn Asn Gly
Asp Pro Gly Met
C16H26N4O7S (418.15221260000004)
Asp Pro Met Gly
C16H26N4O7S (418.15221260000004)
Asp Pro Ser Thr
C16H26N4O9 (418.16997060000006)
Asp Pro Thr Ser
C16H26N4O9 (418.16997060000006)
Asp Ser Pro Thr
C16H26N4O9 (418.16997060000006)
Asp Ser Thr Pro
C16H26N4O9 (418.16997060000006)
Asp Thr Pro Ser
C16H26N4O9 (418.16997060000006)
Asp Thr Ser Pro
C16H26N4O9 (418.16997060000006)
Asp Val Ala Asp
C16H26N4O9 (418.16997060000006)
Asp Val Asp Ala
C16H26N4O9 (418.16997060000006)
Asp Val Glu Gly
C16H26N4O9 (418.16997060000006)
Asp Val Gly Glu
C16H26N4O9 (418.16997060000006)
Glu Ala Ala Glu
C16H26N4O9 (418.16997060000006)
Glu Ala Cys Pro
C16H26N4O7S (418.15221260000004)
Glu Ala Glu Ala
C16H26N4O9 (418.16997060000006)
Glu Ala Pro Cys
C16H26N4O7S (418.15221260000004)
Glu Cys Ala Pro
C16H26N4O7S (418.15221260000004)
Glu Cys Pro Ala
C16H26N4O7S (418.15221260000004)
Glu Asp Gly Val
C16H26N4O9 (418.16997060000006)
Glu Asp Val Gly
C16H26N4O9 (418.16997060000006)
Glu Glu Ala Ala
C16H26N4O9 (418.16997060000006)
Glu Gly Asp Val
C16H26N4O9 (418.16997060000006)
Glu Gly Val Asp
C16H26N4O9 (418.16997060000006)
Glu Pro Ala Cys
C16H26N4O7S (418.15221260000004)
Glu Pro Cys Ala
C16H26N4O7S (418.15221260000004)
Glu Pro Ser Ser
C16H26N4O9 (418.16997060000006)
Glu Ser Pro Ser
C16H26N4O9 (418.16997060000006)
Glu Ser Ser Pro
C16H26N4O9 (418.16997060000006)
Glu Val Asp Gly
C16H26N4O9 (418.16997060000006)
Glu Val Gly Asp
C16H26N4O9 (418.16997060000006)
Gly Asp Asp Ile
C16H26N4O9 (418.16997060000006)
Gly Asp Asp Leu
C16H26N4O9 (418.16997060000006)
Gly Asp Glu Val
C16H26N4O9 (418.16997060000006)
Gly Asp Ile Asp
C16H26N4O9 (418.16997060000006)
Gly Asp Leu Asp
C16H26N4O9 (418.16997060000006)
Gly Asp Met Pro
C16H26N4O7S (418.15221260000004)
Gly Asp Asn Asn
Gly Asp Pro Met
C16H26N4O7S (418.15221260000004)
Gly Asp Val Glu
C16H26N4O9 (418.16997060000006)
Gly Glu Asp Val
C16H26N4O9 (418.16997060000006)
Gly Glu Val Asp
C16H26N4O9 (418.16997060000006)
Gly Ile Asp Asp
C16H26N4O9 (418.16997060000006)
Gly Leu Asp Asp
C16H26N4O9 (418.16997060000006)
Gly Met Asp Pro
C16H26N4O7S (418.15221260000004)
Gly Met Pro Asp
C16H26N4O7S (418.15221260000004)
Gly Asn Asp Asn
Gly Asn Asn Asp
Gly Pro Asp Met
C16H26N4O7S (418.15221260000004)
Gly Pro Met Asp
C16H26N4O7S (418.15221260000004)
Gly Val Asp Glu
C16H26N4O9 (418.16997060000006)
Gly Val Glu Asp
C16H26N4O9 (418.16997060000006)
Ile Asp Asp Gly
C16H26N4O9 (418.16997060000006)
Ile Asp Gly Asp
C16H26N4O9 (418.16997060000006)
Ile Gly Asp Asp
C16H26N4O9 (418.16997060000006)
Leu Asp Asp Gly
C16H26N4O9 (418.16997060000006)
Leu Asp Gly Asp
C16H26N4O9 (418.16997060000006)
Leu Gly Asp Asp
C16H26N4O9 (418.16997060000006)
Met Asp Gly Pro
C16H26N4O7S (418.15221260000004)
Met Asp Pro Gly
C16H26N4O7S (418.15221260000004)
Met Gly Asp Pro
C16H26N4O7S (418.15221260000004)
Met Gly Pro Asp
C16H26N4O7S (418.15221260000004)
Met Pro Asp Gly
C16H26N4O7S (418.15221260000004)
Met Pro Gly Asp
C16H26N4O7S (418.15221260000004)
Asn Asp Gly Asn
Asn Asp Asn Gly
Asn Gly Asp Asn
Asn Gly Asn Asp
Asn Asn Asp Gly
Asn Asn Gly Asp
Pro Ala Cys Glu
C16H26N4O7S (418.15221260000004)
Pro Ala Glu Cys
C16H26N4O7S (418.15221260000004)
Pro Cys Ala Glu
C16H26N4O7S (418.15221260000004)
Pro Cys Cys Pro
Pro Cys Glu Ala
C16H26N4O7S (418.15221260000004)
Pro Cys Pro Cys
Pro Asp Gly Met
C16H26N4O7S (418.15221260000004)
Pro Asp Met Gly
C16H26N4O7S (418.15221260000004)
Pro Asp Ser Thr
C16H26N4O9 (418.16997060000006)
Pro Asp Thr Ser
C16H26N4O9 (418.16997060000006)
Pro Glu Ala Cys
C16H26N4O7S (418.15221260000004)
Pro Glu Cys Ala
C16H26N4O7S (418.15221260000004)
Pro Glu Ser Ser
C16H26N4O9 (418.16997060000006)
Pro Gly Asp Met
C16H26N4O7S (418.15221260000004)
Pro Gly Met Asp
C16H26N4O7S (418.15221260000004)
Pro Met Asp Gly
C16H26N4O7S (418.15221260000004)
Pro Met Gly Asp
C16H26N4O7S (418.15221260000004)
Pro Pro Cys Cys
Pro Ser Asp Thr
C16H26N4O9 (418.16997060000006)
Pro Ser Glu Ser
C16H26N4O9 (418.16997060000006)
Pro Ser Ser Glu
C16H26N4O9 (418.16997060000006)
Pro Ser Thr Asp
C16H26N4O9 (418.16997060000006)
Pro Thr Asp Ser
C16H26N4O9 (418.16997060000006)
Pro Thr Ser Asp
C16H26N4O9 (418.16997060000006)
Ser Asp Pro Thr
C16H26N4O9 (418.16997060000006)
Ser Asp Thr Pro
C16H26N4O9 (418.16997060000006)
Ser Glu Pro Ser
C16H26N4O9 (418.16997060000006)
Ser Glu Ser Pro
C16H26N4O9 (418.16997060000006)
Ser Pro Asp Thr
C16H26N4O9 (418.16997060000006)
Ser Pro Glu Ser
C16H26N4O9 (418.16997060000006)
Ser Pro Ser Glu
C16H26N4O9 (418.16997060000006)
Ser Pro Thr Asp
C16H26N4O9 (418.16997060000006)
Ser Ser Glu Pro
C16H26N4O9 (418.16997060000006)
Ser Ser Pro Glu
C16H26N4O9 (418.16997060000006)
Ser Thr Asp Pro
C16H26N4O9 (418.16997060000006)
Ser Thr Pro Asp
C16H26N4O9 (418.16997060000006)
Thr Asp Pro Ser
C16H26N4O9 (418.16997060000006)
Thr Asp Ser Pro
C16H26N4O9 (418.16997060000006)
Thr Pro Asp Ser
C16H26N4O9 (418.16997060000006)
Thr Pro Ser Asp
C16H26N4O9 (418.16997060000006)
Thr Ser Asp Pro
C16H26N4O9 (418.16997060000006)
Thr Ser Pro Asp
C16H26N4O9 (418.16997060000006)
Val Ala Asp Asp
C16H26N4O9 (418.16997060000006)
Val Asp Ala Asp
C16H26N4O9 (418.16997060000006)
Val Asp Asp Ala
C16H26N4O9 (418.16997060000006)
Val Asp Glu Gly
C16H26N4O9 (418.16997060000006)
Val Asp Gly Glu
C16H26N4O9 (418.16997060000006)
Val Glu Asp Gly
C16H26N4O9 (418.16997060000006)
Val Glu Gly Asp
C16H26N4O9 (418.16997060000006)
Val Gly Asp Glu
C16H26N4O9 (418.16997060000006)
Val Gly Glu Asp
C16H26N4O9 (418.16997060000006)
Thioridazine-2-sulfone-5-sulfoxide
C21H26N2O3S2 (418.13847660000005)
Oleoside dimethyl ester
Isosakuranetin 7-xyloside
Naringenin 5-rhamnoside
(R)-Byakangelicinn 2'-(3-methylbutanoate)
Dihydrodaidzin
2-Hydroxy-3-methyl-4H-pyran-4-one O-(6E-cinnamoyl-b-D-glucoside)
6-Hydroxy-3,3',4',5,7,8-hexamethoxyflavone
Equol 4'-O-glucuronide
Equol 7-O-glucuronide
(S)-ETHYL 2-(((2S,6R)-5-OXO-2-(THIOPHEN-2-YL)-1,4-THIAZEPAN-6-YL)AMINO)-4-PHENYLBUTANOATE
C21H26N2O3S2 (418.13847660000005)
benzyl 5-fluoro-1-methylsulfonylspiro[2H-indole-3,4-piperidine]-1-carboxylate
2-methyl-alpha-(2-(((octylsulfonyl)oxy)imino)-3(2H)-thienylidene)-Benzeneacetonitrile
C21H26N2O3S2 (418.13847660000005)
(2R,4R)-TERT-BUTYL4-HYDROXY-2-METHYLPYRROLIDINE-1-CARBOXYLATE
C16H26N4O7S (418.15221260000004)
2,3,5-Tri-O-benzyl-D-ribonolactone
2,3,5-Tri-O-benzyl-D-ribono-1,4-lactone is a purine nucleoside analog. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc[1].
5,5-BIS(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-2,2-BITHIOPHENE
C20H28B2O4S2 (418.16150280000005)
benzene-1,3-dicarboxylic acid,hexanedioic acid,2-(2-hydroxyethoxy)ethanol
2-[[(3aR,4S,6R,6aS)-6-[[5-Amino-6-chloro-2-(propylthio)-4-pyrimidinyl]amino]tetrahydro-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-yl]oxy]-ethanol
1,1,3,3-TETRACYCLOPENTYLDICHLORODISILOXANE
C20H36Cl2OSi2 (418.16816259999996)
Pregnenolone sulfate sodium salt
C21H31NaO5S (418.17897960000005)
Pregnenolone monosulfate sodium (3β-Hydroxy-5-pregnen-20-one monosulfate sodium) is a powerful neurosteroid, the main precursor of various steroid hormones including steroid ketones. Pregnenolone monosulfate sodium acts as a signaling-specific inhibitor of cannabinoid CB1 receptor, inhibits the effects of tetrahydrocannabinol (THC) that are mediated by the CB1 receptors. Pregnenolone monosulfate sodium can protect the brain from cannabis intoxication[1][2]. Pregnenolone monosulfate sodium is also a TRPM3 channel activator, and also can weakly activate TRPM1 channels[3]. Pregnenolone monosulfate sodium (3β-Hydroxy-5-pregnen-20-one monosulfate sodium) is a powerful neurosteroid, the main precursor of various steroid hormones including steroid ketones. Pregnenolone monosulfate sodium acts as a signaling-specific inhibitor of cannabinoid CB1 receptor, inhibits the effects of tetrahydrocannabinol (THC) that are mediated by the CB1 receptors. Pregnenolone monosulfate sodium can protect the brain from cannabis intoxication[1][2]. Pregnenolone monosulfate sodium is also a TRPM3 channel activator, and also can weakly activate TRPM1 channels[3].
(3R)-3,4-Dihydro-3-(4-hydroxyphenyl)-2H-1-benzopyran-7-yl beta-D-glucopyranosiduronic acid
1,1-bis-(di-Isopropylphosphino)ferrocene
C22H36FeP2 (418.16415059999997)
Futibatinib
C22H22N6O3 (418.17533019999996)
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors > L01EN - Fibroblast growth factor receptor (fgfr) tyrosine kinase inhibitors C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C164035 - FGFR-targeting Agent C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C155727 - FGFR Inhibitor D000970 - Antineoplastic Agents
1-[(4-Chlorophenyl)methyl]-4-[4-(2-methylphenyl)-1-piperazinyl]pyrazolo[3,4-d]pyrimidine
7-(3-chlorophenyl)-2-(4-phenyl-1-piperazinyl)-7,8-dihydro-6H-quinazolin-5-one
N-[3-[(1-Aminoethyl)(hydroxy)phosphoryl]-2-(1,1-biphenyl-4-ylmethyl)propanoyl]alanine
C21H27N2O5P (418.16575020000005)
N-{(2s)-3-[(1r)-1-Aminoethyl](Hydroxy)phosphoryl-2-Benzylpropanoyl}-L-Phenylalanine
C21H27N2O5P (418.16575020000005)
N-[7-Keto-8-aminopelargonic acid]-[3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-YL-methane]
likviritin
Liquiritin, a flavonoid isolated from Glycyrrhiza uralensis, is a potent and competitive AKR1C1 inhibitor with IC50s of 0.62 μM, 0.61 μM, and 3.72μM for AKR1C1, AKR1C2 and AKR1C3, respectively. Liquiritin efficiently inhibits progesterone metabolism mediated by AKR1C1 in vivo[1]. Liquiritin acts as an antioxidant and has neuroprotective, anti-cancer and anti-inflammatory activity[2]. Liquiritin, a flavonoid isolated from Glycyrrhiza uralensis, is a potent and competitive AKR1C1 inhibitor with IC50s of 0.62 μM, 0.61 μM, and 3.72μM for AKR1C1, AKR1C2 and AKR1C3, respectively. Liquiritin efficiently inhibits progesterone metabolism mediated by AKR1C1 in vivo[1]. Liquiritin acts as an antioxidant and has neuroprotective, anti-cancer and anti-inflammatory activity[2].
methyl 5-ethylidene-4-(2-methoxy-2-oxoethyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
6-[3-Hydroxy-2-(3,5,7-trioxononanoyl)phenyl]-3,5-dioxohexanoic acid
hydrangeic acid 4-O-beta-D-glucopyranoside
A monohydroxybenzoic acid that is benzoic acid substituted by a hydroxy group at position 6 and a 2-phenylethenyl group at position 2 which in turn is attached to a beta-D-glucopyranosyloxy group at position 4. It has been isolated from the roots of Scorzonera judaica.
(+)-(7S,8S,8S)-3,4-dihydroxy-2,3,4,5-tetramethoxy-6,9-epoxy-2,7-cyclolignan-9-ol
A lignan isolated from the stems of Sinocalamus affinis.
1-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)-2-[[5-methyl-2-(2-methylphenyl)-4-oxazolyl]methylsulfinyl]ethanone
C21H26N2O5S (418.15623460000006)
N-[(1,3-dimethyl-4-pyrazolyl)methyl]-5-(2-furanyl)-N-methyl-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinecarboxamide
C19H17F3N6O2 (418.13650179999996)
4-[(2E)-2-(3-ethoxy-4-{[(2-methylphenyl)carbonyl]oxy}benzylidene)hydrazinyl]benzoic acid
3-amino-8-methyl-N-[4-(4-morpholinyl)phenyl]-2-thieno[2,3-b]quinolinecarboxamide
N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-9H-xanthene-9-carboxamide
hydrangenol 4-O-beta-D-glucopyranoside
A member of the class of dihydroisocoumarins that is hydrangenol attached to a beta-D-glucopyranosyl residue at position 4 via a glycosidic linkage. It has been isolated from the roots of Scorzonera judaica.
N-[2-[2-[2-(4-methoxyanilino)-2-oxoethyl]-5-tetrazolyl]phenyl]-2-furancarboxamide
[4-(2-Methoxyphenyl)-1-piperazinyl]-[4-[(phenylthio)methyl]phenyl]methanone
C25H26N2O2S (418.17148960000003)
5-(3,4-dimethoxyphenyl)-N-[1-[(2-methylphenyl)methyl]-4-pyrazolyl]-3-isoxazolecarboxamide
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-8-methyl-4-oxothieno[3,2-c]chromene-2-carboxamide
N-(3-ethoxyphenyl)-1-(4-methoxyphenyl)sulfonyl-3-piperidinecarboxamide
C21H26N2O5S (418.15623460000006)
1-(2,5-dimethoxyphenyl)sulfonyl-N-(phenylmethyl)-4-piperidinecarboxamide
C21H26N2O5S (418.15623460000006)
methyl (4S,5Z,6S)-5-ethylidene-4-(2-methoxy-2-oxo-ethyl)-6-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4H-pyran-3-carboxylate
N-[[1,3-dioxo-2-(phenylmethyl)-7,7a-dihydro-3aH-octahydro-1H-4,7-epoxyisoindol-4-yl]methyl]-4-methoxybenzamide
N-[(E)-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]pyridine-3-carboxamide
2-[benzyl-[2-[(E)-(4-methoxyphenyl)methylideneamino]oxyacetyl]amino]benzoic acid
(1R,5S)-7-[4-(2-methylphenyl)phenyl]-3-(3-methylphenyl)sulfonyl-3,6-diazabicyclo[3.1.1]heptane
C25H26N2O2S (418.17148960000003)
(1S,5R)-7-[4-(3-methylphenyl)phenyl]-3-(4-methylphenyl)sulfonyl-3,6-diazabicyclo[3.1.1]heptane
C25H26N2O2S (418.17148960000003)
(2R,3S,4S)-3-[4-[2-(3-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-1-[4-oxanyl(oxo)methyl]-2-azetidinecarbonitrile
(2R,3R,4S)-3-[4-[2-(3-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-1-[4-oxanyl(oxo)methyl]-2-azetidinecarbonitrile
N-(2-hydroxyphenyl)-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]octanediamide
C19H22N4O5S (418.13108420000003)
(2S,3R,4R)-3-[4-[2-(3-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-1-[4-oxanyl(oxo)methyl]-2-azetidinecarbonitrile
(1S,5R)-7-[4-(4-methylphenyl)phenyl]-6-(4-methylphenyl)sulfonyl-3,6-diazabicyclo[3.1.1]heptane
C25H26N2O2S (418.17148960000003)
(1S,5R)-7-[4-(2-methylphenyl)phenyl]-3-(phenylmethyl)sulfonyl-3,6-diazabicyclo[3.1.1]heptane
C25H26N2O2S (418.17148960000003)
(6S,7S,8S)-4-ethylsulfonyl-7-[4-(3-fluorophenyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7R,8R)-4-ethylsulfonyl-7-[4-(3-fluorophenyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7S,8S)-4-ethylsulfonyl-7-[4-(3-fluorophenyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
3-O-(2-methoxyethyl) 5-O-propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylate
3,4,5-Trihydroxy-6-[4-hydroxy-2-(3-phenylpropanoyl)phenoxy]oxane-2-carboxylic acid
(5E)-2-Amino-5-[[3-(3-methyl-4-propan-2-yloxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazol-4-one
N-[(4-chlorophenyl)methyl]-2-[(5Z,8S,12R)-2,9-dioxo-10-oxa-1-azabicyclo[10.3.0]pentadec-5-en-8-yl]acetamide
C22H27ClN2O4 (418.16592520000006)
N-[(4-chlorophenyl)methyl]-2-[(3S,5Z,12R)-2,9-dioxo-10-oxa-1-azabicyclo[10.3.0]pentadec-5-en-3-yl]acetamide
C22H27ClN2O4 (418.16592520000006)
[(3aR,4R,5R,6E,10E,11aR)-5-acetyloxy-6-formyl-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (2S,3S)-2,3-dimethyloxirane-2-carboxylate
Isoliquiritin
Isoliquiritin is a monosaccharide derivative that is trans-chalcone substituted by hydroxy groups at positions 2 and 4 and a beta-D-glucopyranosyloxy group at position 4 respectively. It has a role as an antineoplastic agent and a plant metabolite. It is a member of chalcones, a member of resorcinols, a beta-D-glucoside and a monosaccharide derivative. It is functionally related to a trans-chalcone. Isoliquiritin is a natural product found in Allium chinense, Portulaca oleracea, and other organisms with data available. See also: Glycyrrhiza Glabra (part of). A monosaccharide derivative that is trans-chalcone substituted by hydroxy groups at positions 2 and 4 and a beta-D-glucopyranosyloxy group at position 4 respectively. Isoliquiritin, isolated from Licorice Root, inhibits angiogenesis and tube formation. Isoliquiritin also exhibits antidepressant-like effects and antifungal activity[1][2][3]. Isoliquiritin, isolated from Licorice Root, inhibits angiogenesis and tube formation. Isoliquiritin also exhibits antidepressant-like effects and antifungal activity[1][2][3].