Exact Mass: 354.13616920000004
Exact Mass Matches: 354.13616920000004
Found 500 metabolites which its exact mass value is equals to given mass value 354.13616920000004,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Notopterol
Notopterol is a furanocoumarin. Notopterol is a natural product found in Hansenia forbesii and Hansenia weberbaueriana with data available. Notopterol is a coumarin extracted from N. incisum. Notopterol induces apoptosis and has antipyretic, analgesic and anti-inflammatory effects. Notopterol is used for acute myeloid leukemia (AML)[1]. Notopterol is a coumarin extracted from N. incisum. Notopterol induces apoptosis and has antipyretic, analgesic and anti-inflammatory effects. Notopterol is used for acute myeloid leukemia (AML)[1].
Futoquinol
Futoquinol is a monoterpenoid. Futoquinol is a natural product found in Piper wightii, Piper hymenophyllum, and other organisms with data available.
Xanthohumol
Xanthohumol is a member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 4, 2 and 4, a methoxy group at position 6 and a prenyl group at position 3. Isolated from Humulus lupulus, it induces apoptosis in human malignant glioblastoma cells. It has a role as a metabolite, an apoptosis inducer, an antineoplastic agent, an antiviral agent, an EC 2.3.1.20 (diacylglycerol O-acyltransferase) inhibitor and an anti-HIV-1 agent. It is a member of chalcones, a polyphenol and an aromatic ether. It is a conjugate acid of a xanthohumol(1-). Xanthohumol is under investigation in clinical trial NCT01367431 (Xanthohumol and Metabolic Syndrome). Xanthohumol is a natural product found in Humulus lupulus and Capsicum annuum with data available. Xanthohumol is a prenylated flavonoid derived from the female flowers of the hops plant (Humulus lupulus L), with potential chemopreventive and antineoplastic activities. Upon administration, xanthohumol scavenges reactive oxygen species (ROS), thereby preventing DNA damage due to oxidative stress. In addition, xanthohumol is able to increase the expression of phase II cytoprotective enzymes, thereby inactivating carcinogens. This agent exerts anti-inflammatory activity, through the inhibition of inflammation-inducing enzymes, inhibits DNA synthesis, and induces apoptosis of susceptible cancer cells. Xanthohumol also decreases the expression of C-X-C chemokine receptor 4 (CXCR4), thereby preventing cancer cell invasion. A member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 4, 2 and 4, a methoxy group at position 6 and a prenyl group at position 3. Isolated from Humulus lupulus, it induces apoptosis in human malignant glioblastoma cells. C308 - Immunotherapeutic Agent > C63817 - Chemokine Receptor Antagonist > C107589 - CXCR4 Inhibitor Xanthohumol is found in alcoholic beverages. Xanthohumol is isolated from Humulus lupulus (hops Isolated from Humulus lupulus (hops). Xanthohumol is found in beer and alcoholic beverages. D006133 - Growth Substances > D043924 - Angiogenesis Modulating Agents D000970 - Antineoplastic Agents > D020533 - Angiogenesis Inhibitors D006133 - Growth Substances > D006131 - Growth Inhibitors C1892 - Chemopreventive Agent [Raw Data] CBA95_Xanthohumol_pos_50eV.txt [Raw Data] CBA95_Xanthohumol_neg_40eV.txt [Raw Data] CBA95_Xanthohumol_neg_20eV.txt [Raw Data] CBA95_Xanthohumol_neg_30eV.txt [Raw Data] CBA95_Xanthohumol_neg_50eV.txt [Raw Data] CBA95_Xanthohumol_pos_30eV.txt [Raw Data] CBA95_Xanthohumol_pos_10eV.txt [Raw Data] CBA95_Xanthohumol_neg_10eV.txt [Raw Data] CBA95_Xanthohumol_pos_20eV.txt [Raw Data] CBA95_Xanthohumol_pos_40eV.txt Xanthohumol is one of the principal flavonoids isolated from hops, the inhibitor of diacylglycerol acetyltransferase (DGAT), COX-1 and COX-2, and shows anti-cancer and anti-angiogenic activities. Xanthohumol also has antiviral activity against bovine viral diarrhea virus (BVDV), rhinovirus, HSV-1, HSV-2 and cytomegalovirus (CMV). Xanthohumol is one of the principal flavonoids isolated from hops, the inhibitor of diacylglycerol acetyltransferase (DGAT), COX-1 and COX-2, and shows anti-cancer and anti-angiogenic activities. Xanthohumol also has antiviral activity against bovine viral diarrhea virus (BVDV), rhinovirus, HSV-1, HSV-2 and cytomegalovirus (CMV). Xanthohumol is one of the principal flavonoids isolated from hops, the inhibitor of diacylglycerol acetyltransferase (DGAT), COX-1 and COX-2, and shows anti-cancer and anti-angiogenic activities. Xanthohumol also has antiviral activity against bovine viral diarrhea virus (BVDV), rhinovirus, HSV-1, HSV-2 and cytomegalovirus (CMV).
FUSARENON X
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
Cristacarpin
Cristacarpin is found in pulses. Cristacarpin is isolated from Psophocarpus tetragonolobus (winged bean).
Epoxybergamottin
D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins
3'-Hydroxy-4'-methoxyglabridin
3-Hydroxy-4-methoxyglabridin is an isoflavonoid. 3-Hydroxy-4-methoxyglabridin is a natural product found in Glycyrrhiza glabra with data available. 3-Hydroxy-4-methoxyglabridin is found in herbs and spices. 3-Hydroxy-4-methoxyglabridin is isolated from Glycyrrhiza glabra (licorice Isolated from Glycyrrhiza glabra (licorice). 3-Hydroxy-4-methoxyglabridin is found in tea and herbs and spices.
Licoagrochalcone C
Licoagrochalcone C is a member of chalcones. Licoagrochalcone C is a natural product found in Glycyrrhiza glabra and Glycyrrhiza inflata with data available. Licoagrochalcone C is found in herbs and spices. Licoagrochalcone C is isolated from hairy root cultures of Glycyrrhiza glabra (licorice Isolated from hairy root cultures of Glycyrrhiza glabra (licorice). Licoagrochalcone C is found in tea and herbs and spices. Xanthohumol is one of the principal flavonoids isolated from hops, the inhibitor of diacylglycerol acetyltransferase (DGAT), COX-1 and COX-2, and shows anti-cancer and anti-angiogenic activities. Xanthohumol also has antiviral activity against bovine viral diarrhea virus (BVDV), rhinovirus, HSV-1, HSV-2 and cytomegalovirus (CMV). Xanthohumol is one of the principal flavonoids isolated from hops, the inhibitor of diacylglycerol acetyltransferase (DGAT), COX-1 and COX-2, and shows anti-cancer and anti-angiogenic activities. Xanthohumol also has antiviral activity against bovine viral diarrhea virus (BVDV), rhinovirus, HSV-1, HSV-2 and cytomegalovirus (CMV). Xanthohumol is one of the principal flavonoids isolated from hops, the inhibitor of diacylglycerol acetyltransferase (DGAT), COX-1 and COX-2, and shows anti-cancer and anti-angiogenic activities. Xanthohumol also has antiviral activity against bovine viral diarrhea virus (BVDV), rhinovirus, HSV-1, HSV-2 and cytomegalovirus (CMV).
Lansiumarin C
Lansiumarin C is found in fruits. Lansiumarin C is a constituent of Clausena lansium (wampee) Constituent of Clausena lansium (wampee). Lansiumarin C is found in fruits. Lansiumarin C is a member of psoralens.
2,3-Dihydro-7-methoxy-2-(3-methoxy-4,5-methylenedioxyphenyl)-3-methyl-5-(1-propenyl)benzofuran
2,3-Dihydro-7-methoxy-2-(3-methoxy-4,5-methylenedioxyphenyl)-3-methyl-5-(1-propenyl)benzofuran is found in herbs and spices. 2,3-Dihydro-7-methoxy-2-(3-methoxy-4,5-methylenedioxyphenyl)-3-methyl-5-(1-propenyl)benzofuran is isolated from the seed kernels of Myristica fragrans (nutmeg
Aurantiumal
Aurantiumal is found in citrus. Aurantiumal is isolated from oil of grapefruit peel (Citrus paradisi
Methyl (R)-8-Hydroxy-9-decene-4,6-diynoate glucoside
Methyl (R)-8-Hydroxy-9-decene-4,6-diynoate glucoside is found in root vegetables. Methyl (R)-8-Hydroxy-9-decene-4,6-diynoate glucoside is a constituent of Helianthus tuberosus (Jerusalem artichoke). Constituent of Helianthus tuberosus (Jerusalem artichoke). Methyl (R)-8-Hydroxy-9-decene-4,6-diynoate glucoside is found in root vegetables.
3-(2-hydroxy-4-methoxyphenyl)-8,8-dimethyl-2H,3H,4H,8H-pyrano[2,3-f]chromen-3-ol
Gancaonin I
Gancaonin I is found in herbs and spices. Gancaonin I is isolated from Glycyrrhiza uralensis (Chinese licorice) and other Glycyrrhiza species. Isolated from Glycyrrhiza uralensis (Chinese licorice) and other Glycyrrhiza subspecies Gancaonin I is found in herbs and spices.
Methyl helianthenoate F glucoside
Methyl helianthenoate F glucoside is found in root vegetables. Methyl helianthenoate F glucoside is a constituent of Helianthus tuberosus (Jerusalem artichoke). Constituent of Helianthus tuberosus (Jerusalem artichoke). Methyl helianthenoate F glucoside is found in root vegetables.
Licoagrochalcone D
Isolated from hairy root cultures of Glycyrrhiza glabra. Licoagrochalcone D is found in alcoholic beverages and herbs and spices. Licoagrochalcone D is found in alcoholic beverages. Licoagrochalcone D is isolated from hairy root cultures of Glycyrrhiza glabr
1-Methoxyphaseollidin
1-Methoxyphaseollidin is found in pulses. 1-Methoxyphaseollidin is isolated from seeds of Psophocarpus tetragonolobus (winged bean Isolated from seeds of Psophocarpus tetragonolobus (winged bean). 1-Methoxyphaseollidin is found in winged bean and pulses.
Glyceollin IV
Phytoalexin from Glycine max (soybean) and Psophocarpus tetragonolobus (winged bean). Glyceollin IV is found in soy bean, fats and oils, and pulses. Glyceollin IV is found in fats and oils. Phytoalexin from Glycine max (soybean) and Psophocarpus tetragonolobus (winged bean
Epoxybergamottin
Epoxybergamottin is found in citrus. Epoxybergamottin is a constituent of grapefruit (Citrus paradisi) peel oil. Constituent of grapefruit (Citrus paradisi) peel oil. Epoxybergamottin is found in citrus.
Xanthogalenol
Xanthogalenol is found in alcoholic beverages. Xanthogalenol is isolated from Humulus lupulus (hops Isolated from Humulus lupulus (hops). Xanthogalenol is found in alcoholic beverages.
1,2-Bis(6-methoxy-1h-benzimidazol-2-yl)ethane-1,2-diol
C18H18N4O4 (354.13279880000005)
Benzamide, 3,4-dichloro-N-methyl-N-(2-(1-pyrrolidinyl)cyclohexyl)-, trans-
C18H24Cl2N2O (354.12655939999996)
FUSARENON X
Isofezolac
C23H18N2O2 (354.13682079999995)
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
Xanthohumol(Random Configuration)
Xanthoangelol D
Xanthoangelol d is a member of the class of compounds known as 3-prenylated chalcones. 3-prenylated chalcones are chalcones featuring a C5-isoprenoid unit at the 3-position. Thus, xanthoangelol d is considered to be a flavonoid lipid molecule. Xanthoangelol d is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Xanthoangelol d can be found in angelica, which makes xanthoangelol d a potential biomarker for the consumption of this food product.
Xanthoangelol H
Xanthoangelol h belongs to hydroxycinnamic acids and derivatives class of compounds. Those are compounds containing an cinnamic acid (or a derivative thereof) where the benzene ring is hydroxylated. Thus, xanthoangelol h is considered to be a flavonoid lipid molecule. Xanthoangelol h is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Xanthoangelol h can be found in angelica, which makes xanthoangelol h a potential biomarker for the consumption of this food product.
Cnidicin
Cnidicin, also known as 58-diprenyloxypsoralen, is a member of the class of compounds known as psoralens. Psoralens are organic compounds containing a psoralen moiety, which consists of a furan fused to a chromenone to for 7H-furo[3,2-g]chromen-7-one. Cnidicin is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Cnidicin can be found in lemon, which makes cnidicin a potential biomarker for the consumption of this food product.
Hydroprotopine
C20H20NO5+ (354.13414100000006)
Isoxanthohumol
Isoxanthohumol is a member of flavanones. Isoxanthohumol is a natural product found in Streptomyces, Humulus lupulus, and Sophora flavescens with data available. Isolated from hop (Humulus lupulus). Isoxanthohumol is a biomarker for the consumption of beer. Isoxanthohumol is found in beer and alcoholic beverages. (2S)-Isoxanthohumol is a microbial biotransformed metabolite of the hop prenylflavanone Isoxanthohumol[1]. (2S)-Isoxanthohumol is a microbial biotransformed metabolite of the hop prenylflavanone Isoxanthohumol[1]. Isoxanthohumol is a prenylflavonoid from hops and beer. Isoxanthohumol exhibits an antiproliferative activity against several human cancer cell lines. Isoxanthohumol inhibits the development of lung metastatic foci in tumor-challenged animals. Isoxanthohumol shows an antiviral activity towards herpes viruses (HSV1 and HSV2) and bovine viral diarrhea virus (BVDV)[1][2]. Isoxanthohumol is a prenylflavonoid from hops and beer. Isoxanthohumol exhibits an antiproliferative activity against several human cancer cell lines. Isoxanthohumol inhibits the development of lung metastatic foci in tumor-challenged animals. Isoxanthohumol shows an antiviral activity towards herpes viruses (HSV1 and HSV2) and bovine viral diarrhea virus (BVDV)[1][2].
Cnidicin
Cnidicin is a natural product found in Ostericum grosseserratum with data available.
2-Methoxyhelikrausichalcone
Erylatissin C
A dihydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 7 and 3, a methoxy group at position 4 and a prenyl group at position 5. Isolated from Erythrina latissima, it exhibits antimicrobial and radical scavenging activities.
(E,E)-8-(7-Hydroxy-3,7-dimethylocta-2,5-dienyloxy) psoralen
Neorauflavane
Edudiol
A member of the class of pterocarpans that is (6aR,11aR)-pterocarpan substituted by hydroxy groups at positions 3 and 9, a methoxy group at position 1 and a prenyl group at position 2. It has been isolated from Glycyrrhiza uralensis.
Cuevaene A
A monocarboxylic acid that is (2E,4Z,6E)-4-methoxy-6-methylhepta-2,4,6-trienoic acid substituted at position 7 by an 8-hydroxy-1,2,3,4-tetrahydrodibenzofuran-1-yl group.
Tephroleocarpin A
helichromanochalcone
6,6-Dimethyl-5-hydroxy-4,5-dihydropyrano[2,3:2,3]-4-hydroxy-6-methoxychalcone
Isodehydrocycloxanthohumol hydrate
Licochalcone D
Licochalcone D, a flavonoid compound mainly existing in the root of Glycyrrhiza uralensis, is a potent and orally active inhibitor of NF-kappaB (NF-κB) p65. Licochalcone D possesses antioxidant, anti-inflammatory, anti-cancer properties[1][2]. Licochalcone D, a flavonoid compound mainly existing in the root of Glycyrrhiza uralensis, is a potent and orally active inhibitor of NF-kappaB (NF-κB) p65. Licochalcone D possesses antioxidant, anti-inflammatory, anti-cancer properties[1][2].
7,8-(2,2-Dimethylpyrano)-3,4-dihydroxy-5-methoxyflavan
Mundulea flavanone B
Xanthohumol
C308 - Immunotherapeutic Agent > C63817 - Chemokine Receptor Antagonist > C107589 - CXCR4 Inhibitor Acquisition and generation of the data is financially supported by the Max-Planck-Society D006133 - Growth Substances > D043924 - Angiogenesis Modulating Agents D000970 - Antineoplastic Agents > D020533 - Angiogenesis Inhibitors D006133 - Growth Substances > D006131 - Growth Inhibitors C1892 - Chemopreventive Agent IPB_RECORD: 2221; CONFIDENCE confident structure IPB_RECORD: 4121; CONFIDENCE confident structure IPB_RECORD: 4101; CONFIDENCE confident structure Xanthohumol is one of the principal flavonoids isolated from hops, the inhibitor of diacylglycerol acetyltransferase (DGAT), COX-1 and COX-2, and shows anti-cancer and anti-angiogenic activities. Xanthohumol also has antiviral activity against bovine viral diarrhea virus (BVDV), rhinovirus, HSV-1, HSV-2 and cytomegalovirus (CMV). Xanthohumol is one of the principal flavonoids isolated from hops, the inhibitor of diacylglycerol acetyltransferase (DGAT), COX-1 and COX-2, and shows anti-cancer and anti-angiogenic activities. Xanthohumol also has antiviral activity against bovine viral diarrhea virus (BVDV), rhinovirus, HSV-1, HSV-2 and cytomegalovirus (CMV). Xanthohumol is one of the principal flavonoids isolated from hops, the inhibitor of diacylglycerol acetyltransferase (DGAT), COX-1 and COX-2, and shows anti-cancer and anti-angiogenic activities. Xanthohumol also has antiviral activity against bovine viral diarrhea virus (BVDV), rhinovirus, HSV-1, HSV-2 and cytomegalovirus (CMV).
Flemistrictin D
cristacarpin
Isolated from Psophocarpus tetragonolobus (winged bean). Cristacarpin is found in winged bean and pulses.
1-Methoxyphaseollidin
3-Methoxyglabridin
(E)-1-[2-hydroxy-4-(3-methylbut-2-enyloxy)phenyl]-3-(3-hydroxy-4-methoxyphenyl) prop-2-en-1-one|2,3-dihydroxy-4-methoxy-4-(gamma,gamma-dimethylallyloxy)chalcone
(E)-3-(3-methylbut-1-enyl)-11-hydroxy-4-methoxy-9-methyl-7H-dibenzo[b,d]dioxocin-5-one
Liconeolignan
Liconeolignan is a natural product found in Glycyrrhiza inflata with data available.
5-methoxy-2,2,8-trimethyl-10-senecioyl-2H,6H-benzo(1,2-b;5,4-b)dipyran-6-one
1-(7-hydroxy-5-methoxy-2,2-dimethyl-2H-chromen-6-yl)-2-(4-methoxy-phenyl)-ethanone
alisiaquinol
An organic heteropentacyclic compound comprising (2aS,5aR,8aR,8bS)-8a-hydroxy-2a,5a-dimethyldecahydro-8H-naphtho[1,8-bc]furan-8-one ortho-fused to C-6 and C-7 of naphthalene-1,4-diol. An antiplasmodial drug isolated from New Caledonian deep water sponge.
(-)-3-((1E)-1,3-dimethylpent-1-enyl)-10-hydroxy-7-methoxy-1H-naphtho[2,3-c]pyran-8,9(8H)-dione|(-)-3-<(1E)-1,3-dimethylpent-1-enyl>-10-hydroxy-7-methoxy-1H-naphtho<2,3-c>pyran-8,9(8H)-dione|leptosphaerodione
2,6-dihydroxy-3-(2-hydroxy-3-methyl-3-butenyl)-4-methoxychalcone
5-(6-hydroxy-3,7-dimethylocta-2,7-dienyloxy)psoralen
2-[[N-Methyl-N-(5-guanidino-2-aminopentanoyl)hydrazino]phosphonyl]-2-hydroxyacetic acid methyl ester
6-methyl-2a,3,4,4a,5,6,7,8a,12b,12c-decahydro-2h-5,12d-ethanofuro[4,3,2:4,10]anthra[9,1-bc]oxepine-2,9,12-trione
1,2,5-Tri-O-methylglobuxanthone|Tri-Me ether-Globuxanthone
moracin Q|[2,3: 5,6]-(5-hydroxy-4,5-dihydro-6,6-dimethylpyrano)-2-(3,5-dimethoxyphenyl)benzofuran
10-Benzoyloxy-6-hydroxy-8,9-dehydrothymol-isobutyrat
2-(2,3,4,6-tetramethoxyphenyl)-5-(E)-propenylbenzofuran|3-Methoxy-5-(1-Propenyl)-2-(2,4,6-trimethoxyphenyl)benzofuran
7alpha-methoxy-13alpha-(furan-3-yl)-11-keto-apian-3(4),8-dien-(20,6)-olide
3-(4-hydroxyphenyl)-1-[2-(2-hydroxypropan-2-yl)-4-methoxy-2,3-dihydro-1-benzofuran-7-yl]prop-2-en-1-one
(2E)-1-(3,4-dihydro-5-hydroxy-7-methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-3-(4-hydroxyphenyl)-2-propen-1-one|1,2-dihydroxanthohumol C|2,2-dimethyl-3,4-dihydro-(2H)-pyrano[2,3:3,4]-2,4-dihydroxy-6-methoxychalcone|2,2-dimethyl-3,4-dihydro-4,2-dihydroxy-6-methoxy-(2H-pyrano)[5,6:3,4]chalcone|4,2-dihydroxy-6-methoxy-6,6-dimethyl-4,5-dihydropyrano[2,3:3,4]chalcone|Isodehydrocycloxanthohumol
1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-4,6-dien-3-one
1,2-Methylenedioxy-4-methoxy-5-allyl-phen-3-yl ??-D-glucopyranoside
5-(7-hydroxy-3,7-dimethylocta-2,5-dienyloxy)psoralen|notoptol
1,3,5-trihydroxy-2-methyl-4-[(S)-3-methylpentyl]-9,10-anthracenedione|lupinacidin C
4,9-bis-(3-methyl-but-3-enyloxy)-furo[3,2-g]chromen-7-one|Cnidicin, 5,8-Diisopentenyloxypsoralen
2,3-dihydro-7-hydroxy-8-[(Z)-3-hydroxy-3-methylbut-1-enyl]-5-methoxy-2-phenylchroman-4-one|Tephrocandidin A
4-(3,3-Dimethyloxiranylmethoxy)-6-(1,1-dimethyl-2-propenyl)-7H-furo[3,2-g][1]benzopyran-7-one
7-hydroxy-5-methoxy-4,6-dimethyl-7-O-alpha-L-rhamnosylphthalide
ethyl 5-O-trans-feruloyl-alpha-L-arabinofuranoside
2,2-Dimethyl-5-methoxy-3,4-dihydro-3,8-bi(2H-1-benzopyran)-7,8-diol
2-(2,4-Dihydroxyphenyl)-7-methoxy-6-(3-methyl-2-butenyl)-2,3-dihydro-4H-1-benzopyran-4-one
3(S)-5,7-dihydroxy-4-methoxy-3-(gammagamma-dimethylallyl)isoflavanone|Erythraddison III
(2E,4Z,6E)-7-(8-hydroxy-1,2,3,4-tetrahydrodibenzo[b,d]furan-1-yl)-4-methoxy-6-methylhepta-2,4,6-trienoic acid|cuevaene A|cuevaenes A|MBJ-0020
5-(1,1-dimethylallyl)-3,4,4-trihydroxy-2-methoxychalcone
2-methoxy-5-(1,1-dimethylallyl)-4,2,4-trihydroxychalcone|licochalcone G
1-[2-Methoxy-3-(3-methyl-2-butenyl)-4-hydroxyphenyl]-3-(4-hydroxyphenyl)-1,3-propanedione
(-)-4-O-methylenshicine|(7R,8S,8S)-8,8-dimethyl-3,4-dimethoxy-4,5-methylenedioxy-2,7-cyclolignan-7-one|(?)-4-O-methylenshicine|6,7-Methylendioxy-2,3-dimethyl-4-(3,4-dimethoxy-phenyl)-tetralon-(1)|6,7-Methylendioxy-2,3-dimethyl-4-<3,4-dimethoxy-phenyl>-tetralon-(1)|epishicine methyl ether
O-beta-D-Glucopyranoside-3-(3-Hydroxypropyl)phthalide|pediglucoside
3,5-dimethoxy-17-hydroxy-4,19-diketo-11-ene[7,0]metacyclophane|nanaone
4,5,7-trihydroxy-8-methyl-6-(3-methyl-[2-butenyl])-(2S)-flavanone
6-Prenylsakuranetin
6-Prenylsakuranetin is a natural product found in Deguelia hatschbachii, Eysenhardtia texana, and Humulus lupulus with data available.
Macatrichocarpin A
4/-O-Methyllicoflavanone is a natural product found in Erythrina mildbraedii with data available.
3P0SH94V09
Licochalcone D is a natural product found in Glycyrrhiza inflata with data available. Licochalcone D, a flavonoid compound mainly existing in the root of Glycyrrhiza uralensis, is a potent and orally active inhibitor of NF-kappaB (NF-κB) p65. Licochalcone D possesses antioxidant, anti-inflammatory, anti-cancer properties[1][2]. Licochalcone D, a flavonoid compound mainly existing in the root of Glycyrrhiza uralensis, is a potent and orally active inhibitor of NF-kappaB (NF-κB) p65. Licochalcone D possesses antioxidant, anti-inflammatory, anti-cancer properties[1][2].
DehydroglyasperinC
Dehydroglyasperin C is a natural product found in Glycyrrhiza uralensis and Glycyrrhiza aspera with data available. See also: Glycyrrhiza uralensis Root (part of).
Isofutoquinol A
1-Methoxyphaseollidin
1-Methoxyphaseollidin is a member of pterocarpans. 1-Methoxyphaseollidin is a natural product found in Glycyrrhiza aspera with data available.
1,5-Bis-(2,4-dimethoxy-phenyl)-penta-1,4-dien-3-one
(E)-1-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
5,7-dihydroxy-2-(4-methoxyphenyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
1,8,10-trihydroxy-3-methoxy-6-methyl-10-(3-methylbut-2-enyl)anthracen-9-one
4-methoxy-6-[7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]-1,3-benzodioxole
C21H22O5_4-[4,6-Dimethoxy-5-(3-methyl-2-buten-1-yl)-1-benzofuran-2-yl]-1,3-benzenediol
5,7-dihydroxy-2-(4-methoxyphenyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Fusarenone X
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins CONFIDENCE Reference Standard (Level 1)
(E)-1-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one [IIN-based: Match]
(E)-1-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one [IIN-based on: CCMSLIB00000846725]
Fusarenon-X
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
Glyceollin IV
A member of the class of pterocarpans carrying two hydroxy substituents at positions 6a and 9 as well as prenyl and methoxy substituents at positions 2 and 3 respectively.
Xanthogalenol
A member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 4, 2 and 6, a methoxy group at position 4 and a prenyl group at position 3.
Gancaonin I
A member of the class of 1-benzofurans which consists of 1-benzofuran substituted by methoxy groups at positions 4 and 6, a prenyl group at position 5 and a 2,4-dihydroxyphenyl group at position 2. It has been isolated from Glycyrrhiza uralensis.
2,3-Dihydro-7-methoxy-2-(3-methoxy-4,5-methylenedioxyphenyl)-3-methyl-5-(1-propenyl)benzofuran
3'-Methoxyglabridin
Methyl helianthenoate F glucoside
Methyl (R)-8-Hydroxy-9-decene-4,6-diynoate glucoside
4-[carboxy-(3-chloro-phenyl)-methyl]-piperazine-1-carboxylic acid tert-butyl ester hydrochloride
C17H23ClN2O4 (354.13462680000004)
Propanedioic acid,2-(3,4,5-trimethoxybenzoyl)-, 1,3-diethyl ester
Thiourea, N-(2,3-dimethylphenyl)-N-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]- (9CI)
4-Methyl 1-(2-methyl-2-propanyl) 4-[(trifluoroacetyl)amino]-1,4-p iperidinedicarboxylate
BENZOFURAN-2-YL-[4-(4-FLUORO-PHENYL)-PIPERAZIN-1-YL]-ACETIC ACID
C20H19FN2O3 (354.13796360000003)
4-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-ylsulfonyl)morpholine
sodium,[(8R,9S,13S,14S)-2,4,16,16-tetradeuterio-13-methyl-17-oxo-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-yl] sulfate
Methyl 4-(4-Boc-1-piperazinyl)-2-chlorobenzoate
C17H23ClN2O4 (354.13462680000004)
N-(2-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl)cyclopropanesulfonamide
6-(Phthalimidomethyl)-6,11-dihydro-5H-dibenz-[b,e]azepine (PMDAP)
C23H18N2O2 (354.13682079999995)
1-Trityl-1H-imidazole-4-carboxylic acid
C23H18N2O2 (354.13682079999995)
N-(4-amino-2-methyl-pyrimidin-5-ylmethyl)-N-(2-ethoxycarbonylsulfanyl-4-hydroxy-1-methyl-but-1-enyl)-formamide
C15H22N4O4S (354.13616920000004)
Benzoic acid, 4-[1-[(2,4-diaMino-6-pteridinyl)Methyl]-3-butyn-1-yl]-, lithiuM salt (1:1)
Methyl 4-(4-Boc-1-piperazinyl)-3-chlorobenzoate
C17H23ClN2O4 (354.13462680000004)
2-Diphenylacetyl-1,3-indandione-1-hydrazone
C23H18N2O2 (354.13682079999995)
3,4-dichloro-N-methyl-N-[2-(1-pyrrolidinyl)cyclohexyl]benzamide
C18H24Cl2N2O (354.12655939999996)
1,2-Bis(6-methoxy-1h-benzimidazol-2-yl)ethane-1,2-diol
C18H18N4O4 (354.13279880000005)
Benzamide, 3,4-dichloro-N-methyl-N-(2-(1-pyrrolidinyl)cyclohexyl)-, cis-
C18H24Cl2N2O (354.12655939999996)
D002491 - Central Nervous System Agents > D000927 - Anticonvulsants
abyssinone D
A chalcone having hydroxy substituents at positions 4, 2 and 4, a methoxy substituent at position 3 and a 3-methylbut-2-en-1-yl group at position 5. It is isolated from the stems of Erythrina abyssinica and displays moderate cytotoxic effect against human colorectal cancer cell line.
2-[[3-Methyl-7-(3-methylbutyl)-2,6-dioxo-8-purinyl]thio]propanoic acid methyl ester
C15H22N4O4S (354.13616920000004)
3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-pyridinyl)propanamide
C18H18N4O4 (354.13279880000005)
N-(2-oxolanylmethyl)-2-(7-oxo-3-phenyl-6-triazolo[4,5-d]pyrimidinyl)acetamide
[1-(3-Chloro-2-formyl-phenylcarbamoyl)-2-methyl-propyl]-carbamic acid tert-butyl ester
C17H23ClN2O4 (354.13462680000004)
AIDS-096030
(6aS,11aS)-3-methoxy-2-(3-methylbut-2-en-1-yl)-6H-[1]benzofuro[3,2-c][1]benzopyran-6a,9(11aH)-diol
(S)-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chroman-4-one
A dihydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 5 and 7, a methoxy group at position 4 and a prenyl group at position 8. It has been isolated from Macaranga bicolor.
Tephrocandidin A
A monomethoxyflavanone that is (2S)-flavanone substituted by a methoxy group at position 5, a hydroxy group at position 7 and a 3-hydroxy-3-methylbut-1-en-1-yl group at position 8. It has been isolated from the aerial parts of Tephrosia candida.
2-(3,4-Dichlorophenyl)-1-[2-(1-pyrrolidinylmethyl)-1-piperidinyl]ethanone
C18H24Cl2N2O (354.12655939999996)
3-[(2-Amino-benzoyl)-hydrazono]-N-benzo[1,3]dioxol-5-yl-butyramide
C18H18N4O4 (354.13279880000005)
N-[(4R)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyridinecarboxamide
C19H16F2N4O (354.12921099999994)
1,8,10-Trihydroxy-3-methoxy-6-methyl-10-(3-methylbut-2-enyl)anthracen-9-one
N-[4-(cyanomethyl)phenyl]-4-cyclohexylbenzenesulfonamide
2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]oxy}-N-[(1E)-(2-hydroxyphenyl)methylene]acetohydrazide
C18H18N4O4 (354.13279880000005)
N-[(4S)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyridinecarboxamide
C19H16F2N4O (354.12921099999994)
(2S)-5,7-dihydroxy-2-(4-methoxyphenyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
3-[2-(Hydroxymethyl)-5-methoxy-2-methylchromen-6-yl]-1-(4-hydroxyphenyl)propan-1-one
3,4,5-Trihydroxy-6-[3-hydroxy-2-(3-methylbut-2-enyl)phenoxy]oxane-2-carboxylic acid
6-(2-Benzyl-3-oxobutoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
(1E,4E)-1,5-bis(2,4-dimethoxyphenyl)penta-1,4-dien-3-one
4-methoxy-6-[7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]-1,3-benzodioxole
(1-Phosphonooxy-3-propanoyloxypropan-2-yl) octanoate
(1-Butanoyloxy-3-phosphonooxypropan-2-yl) heptanoate
(1-Pentanoyloxy-3-phosphonooxypropan-2-yl) hexanoate
Isofezolac
C23H18N2O2 (354.13682079999995)
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
ER-000444793
C23H18N2O2 (354.13682079999995)
ER-000444793 is a potent inhibitor of mitochondrial permeability transition pore (mPTP) opening. ER-000444793 inhibits mPTP with an IC50 of 2.8?μM.
KI-7
C23H18N2O2 (354.13682079999995)
KI-7 is an A2B adenosine receptor positive allosteric modulator. KI-7 potentiates the cAMP accumulation induced by the non-selective A2B adenosine receptor agonist NECA (EC50=445.8 nM). KI-7 also potentiates the cAMP accumulation induced by the selective A2B adenosine receptor agonist BAY 60-6583 as well as by adenosine with EC50s of 2390 nM and 2550 nM, respectively[1][2].
(3s)-3-hydroxy-1-(5-hydroxy-7-methoxy-2,2-dimethylchromen-6-yl)-3-phenylpropan-1-one
(2s,3r,5s)-2-(2h-1,3-benzodioxol-5-ylmethyl)-5-methoxy-3-methyl-5-(prop-2-en-1-yl)-2,3-dihydro-1-benzofuran-6-one
(2s)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-6-(3-methylbut-2-en-1-yl)-2,3-dihydro-1-benzopyran-4-one
14-methoxy-15-(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2,4,6,11,13,15-hexaene-5,10-diol
14-methoxy-10-(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2,4,6,11(16),12,14-hexaene-5,13-diol
(2s,3s)-n-(1,3-dihydroxypropan-2-yl)-2,3-dihydroxy-3-[(4s,5s)-2-(2-hydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazol-4-yl]propanimidic acid
10-hydroxy-7-methoxy-3-[(2e,4r)-4-methylhex-2-en-2-yl]-1h-cyclohexa[g]isochromene-8,9-dione
(2s)-2-amino-5-carbamimidamido-n-[hydroxy(1-hydroxy-2-methoxy-2-oxoethyl)phosphoryl]-n-methylpentanehydrazonic acid
4-[(6-hydroxy-3,7-dimethylocta-2,7-dien-1-yl)oxy]furo[3,2-g]chromen-7-one
(3s)-7-hydroxy-3-[4-hydroxy-2-methoxy-5-(3-methylbut-2-en-1-yl)phenyl]-2,3-dihydro-1-benzopyran-4-one
(2r,3s)-2-(4-hydroxyphenyl)-5-methoxy-8,8-dimethyl-2h,3h,4h-pyrano[2,3-f]chromen-3-ol
5-methoxy-7-[2-(4-methoxyphenyl)-2-oxoethyl]-2,2-dimethyl-3h-1-benzopyran-4-one
3-{8,8-dimethyl-2h,3h,4h-pyrano[3,2-g]chromen-3-yl}-6-methoxybenzene-1,2-diol
4-{[(2e,5r)-5-hydroxy-3,7-dimethylocta-2,6-dien-1-yl]oxy}furo[3,2-g]chromen-7-one
(3s,4r)-8-hydroxy-3-methyl-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2h-naphthalen-1-one
3-(3,4-dihydroxy-2-methoxyphenyl)-1-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]prop-2-en-1-one
(2e)-1-(4-hydroxyphenyl)-3-[(2s)-2-(2-hydroxypropan-2-yl)-4-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-en-1-one
9-{[(2e)-5-[(2r)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-en-1-yl]oxy}furo[3,2-g]chromen-7-one
8-(3,4-dimethoxyphenyl)-6,7-dimethyl-2h,6h,7h,8h-naphtho[2,3-d][1,3]dioxol-5-one
(11e)-17-hydroxy-3,5-dimethoxytricyclo[12.3.1.1²,⁶]nonadeca-1(18),2,5,11,14,16-hexaene-4,19-dione
5-methoxy-8,8-dimethyl-2-phenyl-2h,3h,4h-pyrano[2,3-f]chromene-3,4-diol
(1s)-3-(2,2-dimethylchromen-6-yl)-1-hydroxy-1-(4-hydroxy-2-methoxyphenyl)propan-2-one
{8,10,11-trihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-6-yl}methyl acetate
(2r)-6-hydroxy-5-methoxy-7-[(3-methylbut-2-en-1-yl)oxy]-2-phenyl-2,3-dihydro-1-benzopyran-4-one
1-[2,6-dihydroxy-3-(2-hydroxy-3-methylbut-3-en-1-yl)-4-methoxyphenyl]-3-phenylprop-2-en-1-one
9-{[(2e,6r)-6-hydroxy-3,7-dimethylocta-2,7-dien-1-yl]oxy}furo[3,2-g]chromen-7-one
7-(3,7-dimethoxy-1,3-dihydro-2-benzofuran-1-yl)-3-hydroxy-3-methyl-2,4-dihydronaphthalen-1-one
(2s)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methyl-8-(3-methylbut-2-en-1-yl)-2,3-dihydro-1-benzopyran-4-one
(3r)-7-[(1r,3s)-3,7-dimethoxy-1,3-dihydro-2-benzofuran-1-yl]-3-hydroxy-3-methyl-2,4-dihydronaphthalen-1-one
(2e)-1-[(3s)-3,5-dihydroxy-7-methoxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-6-yl]-3-phenylprop-2-en-1-one
(1s)-1-[4-(3,6-dioxocyclohexa-1,4-dien-1-yl)furan-3-yl]-4-methylpent-3-en-1-yl 3-methylbut-2-enoate
(2s)-2-hydroxy-3-(4-hydroxyphenyl)-1-(7-methoxy-2,2-dimethylchromen-6-yl)propan-1-one
(2e)-1-(2,4-dihydroxyphenyl)-3-[4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-yl)phenyl]prop-2-en-1-one
(10'r,11's)-3',10'-dihydroxy-2'-(hydroxymethyl)-1',5'-dimethyl-4'-oxo-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-11'-yl acetate
(12r)-4,6-dimethoxy-2-oxatricyclo[13.2.2.1³,⁷]icosa-1(17),3(20),4,6,8,10,15,18-octaene-5,12-diol
(2e)-1-[(4ar,8as)-5-hydroxy-7-methoxy-2,2-dimethyl-4a,8a-dihydrochromen-6-yl]-3-(4-hydroxyphenyl)prop-2-en-1-one
1-(3,5-dihydroxy-7-methoxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-6-yl)-3-phenylprop-2-en-1-one
(2e)-8,11-dihydroxy-6-(hydroxymethyl)-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-10-yl acetate
3-(3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propyl)-3h-2-benzofuran-1-one
9-hydroperoxy-5,6-dihydroxy-6,9-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,6ah,9ah,9bh-azuleno[4,5-b]furan-4-yl acetate
4-(2h-1,3-benzodioxol-5-yl)-6,7-dimethoxy-2,3-dimethyl-3,4-dihydro-2h-naphthalen-1-one
[(1s,2e,8r,10r,11s)-8,10,11-trihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-6-yl]methyl acetate
1-(5-hydroxy-7-methoxy-2,2-dimethyl-4a,8a-dihydrochromen-6-yl)-3-(4-hydroxyphenyl)prop-2-en-1-one
(1's,2s,2'r,3's,7'r,9'r,10'r,11's)-3',10'-dihydroxy-2'-(hydroxymethyl)-1',5'-dimethyl-4'-oxo-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-11'-yl acetate
4-(6-hydroxy-3-methyl-1-benzofuran-2-yl)-5-methoxy-6-(3-methylbut-2-en-1-yl)benzene-1,3-diol
1,2-methylenedioxy-4-methoxy-5-allyl-phen-3-yl beta-d-glucopyranoside
{"Ingredient_id": "HBIN000904","Ingredient_name": "1,2-methylenedioxy-4-methoxy-5-allyl-phen-3-yl beta-d-glucopyranoside","Alias": "1,2-methylenedioxy-4-methoxy-5-allyl-phen-3-yl\u03b2-d-glucopyranoside","Ingredient_formula": "C17H22O8","Ingredient_Smile": "COC1=C(C2=C(C=C1CC=C)OCO2)C3C(C(C(C(O3)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31609;14367","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2S)-5,7-dihydroxy-4'＇-methoxy-8-prenylflavanone
{"Ingredient_id": "HBIN006761","Ingredient_name": "2S)-5,7-dihydroxy-4'\uff07-methoxy-8-prenylflavanone","Alias": "NA","Ingredient_formula": "C21H22O5","Ingredient_Smile": "CC(=CCC1=C(C=C(C2=C1OC(CC2=O)C3=CC=C(C=C3)OC)O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41140","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3'-Hydroxy-4'-O-Methylglabridin
{"Ingredient_id": "HBIN008674","Ingredient_name": "3'-Hydroxy-4'-O-Methylglabridin","Alias": "NA","Ingredient_formula": "C21H22O5","Ingredient_Smile": "CC1(C=CC2=C(O1)C=CC3=C2OCC(C3)C4=C(C(=C(C=C4)OC)O)O)C","Ingredient_weight": "354.4 g/mol","OB_score": "43.71495141","CAS_id": "NA","SymMap_id": "SMIT06795","TCMID_id": "NA","TCMSP_id": "MOL004966","TCM_ID_id": "NA","PubChem_id": "15228662","DrugBank_id": "NA"}
5-deoxyabyssinin ii
{"Ingredient_id": "HBIN011513","Ingredient_name": "5-deoxyabyssinin ii","Alias": "NA","Ingredient_formula": "C21H22O5","Ingredient_Smile": "CC(=CCC1=C(C(=CC(=C1)C2CC(=O)C3=C(O2)C=C(C=C3)O)OC)O)C","Ingredient_weight": "354.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5145","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "44424649","DrugBank_id": "NA"}
8-[(3,7-dimethyl-2,6-octadienyl)oxy]-7h-furo[3,2-g][1]benzopyran-7-one,9ci; 6',7'-dihydro,6'-oxo
{"Ingredient_id": "HBIN013564","Ingredient_name": "8-[(3,7-dimethyl-2,6-octadienyl)oxy]-7h-furo[3,2-g][1]benzopyran-7-one,9ci; 6',7'-dihydro,6'-oxo","Alias": "NA","Ingredient_formula": "C21H22O5","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7389","PubChem_id": "NA","DrugBank_id": "NA"}
8-(3,7-dimethyl-6-oxo-2-octenyloxy)psoralen
{"Ingredient_id": "HBIN013565","Ingredient_name": "8-(3,7-dimethyl-6-oxo-2-octenyloxy)psoralen","Alias": "NA","Ingredient_formula": "C21H22O5","Ingredient_Smile": "NA","Ingredient_weight": "354.402","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7413","PubChem_id": "NA","DrugBank_id": "NA"}
biphenanthrene
{"Ingredient_id": "HBIN018537","Ingredient_name": "biphenanthrene","Alias": "NA","Ingredient_formula": "C28H18","Ingredient_Smile": "C1=CC=C2C(=C1)C=CC3=C2C=CC=C3C4=CC=CC5=C4C=CC6=CC=CC=C65","Ingredient_weight": "354.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2398","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "21709721","DrugBank_id": "NA"}
3-hydroxy-15,17-dimethoxytricyclo[12.3.1.1²,⁶]nonadeca-1(17),2(19),3,5,14(18),15-hexaene-7,11-dione
methyl (8s)-8-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}dec-9-en-4,6-diynoate
(1r,10r)-13-methoxy-15-(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2,4,6,11(16),12,14-hexaene-5,14-diol
5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-2,3-dihydro-1-benzopyran-4-one
(1r,10r)-13-methoxy-4-(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2,4,6,11(16),12,14-hexaene-5,14-diol
(10e)-4,17-dihydroxy-3,11-dimethoxytricyclo[12.3.1.1²,⁶]nonadeca-1(18),2(19),3,5,10,14,16-heptaen-9-one
(1s)-1-[5-(3,6-dioxocyclohexa-1,4-dien-1-yl)furan-3-yl]-4-methylpent-3-en-1-yl 3-methylbut-2-enoate
[(2e)-8,10,11-trihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-6-yl]methyl acetate
(3ar,4r,5r,6s,6as,9s,9as,9br)-9-hydroperoxy-5,6-dihydroxy-6,9-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,6ah,9ah,9bh-azuleno[4,5-b]furan-4-yl acetate
(2s)-5-hydroxy-8-[(1e)-3-hydroxy-3-methylbut-1-en-1-yl]-7-methoxy-2-phenyl-2,3-dihydro-1-benzopyran-4-one
7-hydroxy-2-[4-hydroxy-3-methoxy-5-(3-methylbut-2-en-1-yl)phenyl]-2,3-dihydro-1-benzopyran-4-one
(3s)-7-hydroxy-3-[3-hydroxy-4-methoxy-2-(3-methylbut-2-en-1-yl)phenyl]-2,3-dihydro-1-benzopyran-4-one
2-{[(2r)-1,1-dimethyl-3-oxo-2h-inden-2-yl]methyl}-3,5-dimethoxybenzoic acid
9-[(6-hydroxy-3,7-dimethylocta-2,7-dien-1-yl)oxy]furo[3,2-g]chromen-7-one
1-{2-hydroxy-4-[(3-methylbut-2-en-1-yl)oxy]phenyl}-3-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-one
4-{[(2e,6r)-6-hydroxy-3,7-dimethylocta-2,7-dien-1-yl]oxy}furo[3,2-g]chromen-7-one
5-methoxy-8,8-dimethyl-2-phenyl-2h,3h,4h-pyrano[3,2-g]chromene-3,4-diol
[(1r,2e,8s,10r,11s)-8,10,11-trihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-6-yl]methyl acetate
(2e,4z,6e)-7-{12-hydroxy-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),2(7),9,11-tetraen-6-yl}-4-methoxy-6-methylhepta-2,4,6-trienoic acid
5-hydroxy-7-methoxy-2-{4-[(3-methylbut-2-en-1-yl)oxy]phenyl}-2,3-dihydro-1-benzopyran-4-one
7-hydroxy-2-[3-hydroxy-4-methoxy-5-(3-methylbut-2-en-1-yl)phenyl]-2,3-dihydro-1-benzopyran-4-one
(2e)-1-{2-hydroxy-3-[(2s)-2-hydroxy-3-methylbut-3-en-1-yl]-4-methoxyphenyl}-3-(4-hydroxyphenyl)prop-2-en-1-one
5-hydroxy-8-(3-hydroxy-3-methylbut-1-en-1-yl)-7-methoxy-2-phenyl-2,3-dihydro-1-benzopyran-4-one
(1r,4s,8s,15s,18r,21s,22s)-10,13-dihydroxy-5-methylidene-7,16-dioxahexacyclo[13.6.1.0¹,⁸.0⁴,²¹.0⁹,¹⁴.0¹⁸,²²]docosa-9,11,13-trien-17-one
(4s)-4-[(1e)-1-(2h-1,3-benzodioxol-5-yl)prop-1-en-2-yl]-4,5-dimethoxy-2-(prop-2-en-1-yl)cyclohexa-2,5-dien-1-one
7-{12-hydroxy-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),2(7),9,11-tetraen-6-yl}-4-methoxy-6-methylhepta-2,4,6-trienoic acid
(1r,10r)-3-methoxy-5-[(3-methylbut-2-en-1-yl)oxy]-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2(7),3,5,11,13,15-hexaen-14-ol
(2s)-5-hydroxy-7-methoxy-2-{4-[(3-methylbut-2-en-1-yl)oxy]phenyl}-2,3-dihydro-1-benzopyran-4-one
13-methoxy-4-(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2,4,6,11(16),12,14-hexaene-5,14-diol
(2-{4-methyl-2-[(2-methylpropanoyl)oxy]phenyl}oxiran-2-yl)methyl benzoate
(2e,4z,6e)-7-[(6s)-12-hydroxy-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),2(7),9,11-tetraen-6-yl]-4-methoxy-6-methylhepta-2,4,6-trienoic acid
n-{5-hydroxy-[1,2]dithiolo[4,3-b]pyrrol-6-yl}dodecanimidic acid
(2s)-5,7-dihydroxy-2-(4-methoxyphenyl)-6-(3-methylbut-2-en-1-yl)-2,3-dihydro-1-benzopyran-4-one
(11r)-5-(3,5-dimethoxyphenyl)-12,12-dimethyl-4,13-dioxatricyclo[7.4.0.0³,⁷]trideca-1(9),2,5,7-tetraen-11-ol
5-[(1e)-prop-1-en-1-yl]-2-(2,3,4,6-tetramethoxyphenyl)-1-benzofuran
7-hydroxy-3-[2-hydroxy-4-methoxy-5-(3-methylbut-2-en-1-yl)phenyl]-2,3-dihydro-1-benzopyran-4-one
(2e)-1-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one
(2e,4e,6e)-7-{12-hydroxy-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),2(7),9,11-tetraen-3-yl}-4-methoxy-6-methylhepta-2,4,6-trienoic acid
(2r,3r,3ar)-2-(2h-1,3-benzodioxol-5-ylmethyl)-5-methoxy-3-methyl-3a-(prop-2-en-1-yl)-2,3-dihydro-1-benzofuran-6-one
5-methoxy-2,2,10-trimethyl-6-[(2e)-2-methylbut-2-enoyl]pyrano[2,3-h]chromen-8-one
4-[1-(2h-1,3-benzodioxol-5-yl)prop-1-en-2-yl]-4,5-dimethoxy-2-(prop-2-en-1-yl)cyclohexa-2,5-dien-1-one
1-(2,4-dihydroxyphenyl)-3-[4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-yl)phenyl]prop-2-en-1-one
(3as,4r,5r,6s,6as,9s,9as,9br)-9-hydroperoxy-4,6-dihydroxy-6,9-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,6ah,9ah,9bh-azuleno[4,5-b]furan-5-yl acetate
4-{[(2r)-3,3-dimethyloxiran-2-yl]methoxy}-6-(2-methylbut-3-en-2-yl)furo[3,2-g]chromen-7-one
9-{[(2e,5r)-5-hydroxy-3,7-dimethylocta-2,6-dien-1-yl]oxy}furo[3,2-g]chromen-7-one
7-hydroxy-3-[3-hydroxy-4-methoxy-2-(3-methylbut-2-en-1-yl)phenyl]-2,3-dihydro-1-benzopyran-4-one
(3ar,4r,5r,6s,6ar,9r,9as,9bs)-9-hydroperoxy-4,6-dihydroxy-6,9-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,6ah,9ah,9bh-azuleno[4,5-b]furan-5-yl acetate
(1r,2e,8s,10r,11s)-8,11-dihydroxy-6-(hydroxymethyl)-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-10-yl acetate
(3s)-3-(3-{[(2s,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propyl)-3h-2-benzofuran-1-one
(3r)-7-hydroxy-3-[3-hydroxy-4-methoxy-2-(3-methylbut-2-en-1-yl)phenyl]-2,3-dihydro-1-benzopyran-4-one
(10z)-4,17-dihydroxy-3,11-dimethoxytricyclo[12.3.1.1²,⁶]nonadeca-1(18),2(19),3,5,10,14,16-heptaen-9-one
(2s)-5-hydroxy-8-methoxy-7-[(3-methylbut-2-en-1-yl)oxy]-2-phenyl-2,3-dihydro-1-benzopyran-4-one
3-methoxy-5-[(3-methylbut-2-en-1-yl)oxy]-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2(7),3,5,11,13,15-hexaen-14-ol
5-(prop-1-en-1-yl)-2-(2,3,4,6-tetramethoxyphenyl)-1-benzofuran
(2s,10s)-6-methoxy-19,19-dimethyl-3,12,20-trioxapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁶,²¹]henicosa-1(13),4,6,8,14,16(21)-hexaen-15-ol
1,3,5-trihydroxy-2-methyl-4-(3-methylpentyl)anthracene-9,10-dione
9-{[5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-en-1-yl]oxy}furo[3,2-g]chromen-7-one
9-[(3,7-dimethyl-6-oxooct-2-en-1-yl)oxy]furo[3,2-g]chromen-7-one
(3as,4r,5r,6s,6ar,9r,9as,9bs)-9-hydroperoxy-5,6-dihydroxy-6,9-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,6ah,9ah,9bh-azuleno[4,5-b]furan-4-yl acetate
(2s,3r,4r)-4-(2h-1,3-benzodioxol-5-yl)-6,7-dimethoxy-2,3-dimethyl-3,4-dihydro-2h-naphthalen-1-one
5,7-dihydroxy-2-(4-hydroxyphenyl)-8-methyl-6-(3-methylbut-2-en-1-yl)-2,3-dihydro-1-benzopyran-4-one
5-hydroxy-8-methoxy-7-[(3-methylbut-2-en-1-yl)oxy]-2-phenyl-2,3-dihydro-1-benzopyran-4-one
2-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-5,6-dimethoxy-1-benzofuran-3-ol
14-methyl-3,12-dioxahexacyclo[16.3.1.0⁴,²¹.0⁵,¹⁰.0¹¹,²⁰.0¹⁵,¹⁹]docosa-5(10),7-diene-2,6,9-trione
5-hydroxy-3-[(4r)-4-methoxycyclohex-1-en-1-yl]-8,8-dimethylpyrano[2,3-h]chromen-4-one
(2e)-1-{3,6-dihydroxy-2-methoxy-4-[(3-methylbut-2-en-1-yl)oxy]phenyl}-3-phenylprop-2-en-1-one
(3s)-5,7-dihydroxy-3-[4-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]-2,3-dihydro-1-benzopyran-4-one
7-hydroxy-3-[4-hydroxy-2-methoxy-5-(3-methylbut-2-en-1-yl)phenyl]-2,3-dihydro-1-benzopyran-4-one
9-hydroperoxy-4,6-dihydroxy-6,9-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,6ah,9ah,9bh-azuleno[4,5-b]furan-5-yl acetate
5-hydroxy-3-(4-methoxycyclohex-1-en-1-yl)-8,8-dimethylpyrano[2,3-h]chromen-4-one
1-[2-hydroxy-3-(2-hydroxy-3-methylbut-3-en-1-yl)-4-methoxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
2-[(1,1-dimethyl-3-oxo-2h-inden-2-yl)methyl]-3,5-dimethoxybenzoic acid
1-(5-hydroxy-7-methoxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-6-yl)-3-(4-hydroxyphenyl)prop-2-en-1-one
9-{[(2e,5e)-7-hydroxy-3,7-dimethylocta-2,5-dien-1-yl]oxy}furo[3,2-g]chromen-7-one
methyl 5-oxo-2,9-bis(prop-1-en-2-yl)-4,14-dioxatricyclo[9.2.1.1³,⁶]pentadeca-1(13),6(15),7,11-tetraene-12-carboxylate
16-hydroxy-7-methoxy-14-methyl-6-(3-methylbut-2-en-1-yl)-2,10-dioxatricyclo[10.4.0.0³,⁸]hexadeca-1(16),3(8),4,6,12,14-hexaen-9-one
methyl 10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}dec-8-en-4,6-diynoate
(1s,10s)-14-methoxy-13-(2-methylbut-3-en-2-yl)-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2,4,6,11(16),12,14-hexaene-5,15-diol
(4e,6e)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-4,6-dien-3-one
4-{[5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-en-1-yl]oxy}furo[3,2-g]chromen-7-one
2-{[(2s)-1,1-dimethyl-3-oxo-2h-inden-2-yl]methyl}-3,5-dimethoxybenzoic acid
6-[(5r,6s,7r)-6,7-dimethyl-2h,5h,6h,7h,8h-naphtho[2,3-d][1,3]dioxol-5-yl]-4-methoxy-2h-1,3-benzodioxole
14-methoxy-13-(2-methylbut-3-en-2-yl)-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2,4,6,11(16),12,14-hexaene-5,15-diol
5-(3,5-dimethoxyphenyl)-12,12-dimethyl-4,13-dioxatricyclo[7.4.0.0³,⁷]trideca-1(9),2,5,7-tetraen-11-ol
(3s)-7-hydroxy-3-[2-hydroxy-4-methoxy-5-(3-methylbut-2-en-1-yl)phenyl]-2,3-dihydro-1-benzopyran-4-one
(2e)-1-[4,6-dihydroxy-2-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-8-(3-methylbut-2-en-1-yl)-2,3-dihydro-1-benzopyran-4-one
17-hydroxy-3,5-dimethoxytricyclo[12.3.1.1²,⁶]nonadeca-1(18),2,5,11,14,16-hexaene-4,19-dione
(2z)-1-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
6-{6,7-dimethyl-2h,5h,6h,7h,8h-naphtho[2,3-d][1,3]dioxol-5-yl}-4-methoxy-2h-1,3-benzodioxole
1-[2,6-dihydroxy-4-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
(1s,4s,7r,9r,10s)-7-(furan-3-yl)-7,9-dimethyl-6,16-dioxatetracyclo[8.7.0.0¹,¹⁴.0⁴,⁹]heptadeca-11,13-diene-5,15-dione
1-[4-(3,6-dioxocyclohexa-1,4-dien-1-yl)furan-3-yl]-4-methylpent-3-en-1-yl 3-methylbut-2-enoate
5,7-dihydroxy-6-methoxy-8-(3-methylbut-2-en-1-yl)-2-phenyl-2,3-dihydro-1-benzopyran-4-one
5-methoxy-4,6-dimethyl-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-3h-2-benzofuran-1-one
1-{3,6-dihydroxy-2-methoxy-4-[(3-methylbut-2-en-1-yl)oxy]phenyl}-3-phenylprop-2-en-1-one
4-{[(2e)-5-[(2r)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-en-1-yl]oxy}furo[3,2-g]chromen-7-one
(2s)-7-hydroxy-8-(3-hydroxy-3-methylbut-1-en-1-yl)-5-methoxy-2-phenyl-2,3-dihydro-1-benzopyran-4-one
2-(2h-1,3-benzodioxol-5-ylmethyl)-5-methoxy-3-methyl-3a-(prop-2-en-1-yl)-2,3-dihydro-1-benzofuran-6-one
4-[(5-hydroxy-3,7-dimethylocta-2,6-dien-1-yl)oxy]furo[3,2-g]chromen-7-one
1-(3,4-dihydroxyphenyl)-3-[4-hydroxy-2-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]prop-2-en-1-one
(2s)-7-hydroxy-2-[4-hydroxy-3-methoxy-5-(3-methylbut-2-en-1-yl)phenyl]-2,3-dihydro-1-benzopyran-4-one
(1r,10r)-13-methoxy-6-(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2,4,6,11(16),12,14-hexaene-5,14-diol
(2r)-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-2,3-dihydro-1-benzopyran-4-one
methyl (2r,3r,7z,9s)-5-oxo-2,9-bis(prop-1-en-2-yl)-4,14-dioxatricyclo[9.2.1.1³,⁶]pentadeca-1(13),6(15),7,11-tetraene-12-carboxylate
(3r)-7-[(1r,3r)-3,7-dimethoxy-1,3-dihydro-2-benzofuran-1-yl]-3-hydroxy-3-methyl-2,4-dihydronaphthalen-1-one
1-[5-(3,6-dioxocyclohexa-1,4-dien-1-yl)furan-3-yl]-4-methylpent-3-en-1-yl 3-methylbut-2-enoate
(8e)-5-hydroxy-4,6-dimethoxy-2-oxatricyclo[13.2.2.1³,⁷]icosa-1(17),3(20),4,6,8,15,18-heptaen-12-one
9-[(5-hydroxy-3,7-dimethylocta-2,6-dien-1-yl)oxy]furo[3,2-g]chromen-7-one
9-[(7-hydroxy-3,7-dimethylocta-2,5-dien-1-yl)oxy]furo[3,2-g]chromen-7-one
8-(7-hydroxy-5-methoxy-3,4-dihydro-2h-1-benzopyran-3-yl)-2,2-dimethylchromen-5-ol
3,9-dihydroxy-4,10,11-trimethoxy-7,8-dihydro-6λ⁵-azatetraphen-6-ylium
[C20H20NO5]+ (354.13414100000006)
(2r,3s,4r)-4-(2h-1,3-benzodioxol-5-yl)-6,7-dimethoxy-2,3-dimethyl-3,4-dihydro-2h-naphthalen-1-one
5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-6-(3-methylbut-2-en-1-yl)-2,3-dihydro-1-benzopyran-4-one
5-methyl-7,16-dioxahexacyclo[13.6.1.0¹,⁸.0⁴,²¹.0⁹,¹⁴.0¹⁸,²²]docosa-9(14),11-diene-10,13,17-trione
(3r)-7-(3,7-dimethoxy-1,3-dihydro-2-benzofuran-1-yl)-3-hydroxy-3-methyl-2,4-dihydronaphthalen-1-one
(2s,3r,3as)-2-(2h-1,3-benzodioxol-5-ylmethyl)-5-methoxy-3-methyl-3a-(prop-2-en-1-yl)-2,3-dihydro-1-benzofuran-6-one
3-[(3r)-8,8-dimethyl-2h,3h,4h-pyrano[2,3-f]chromen-3-yl]-6-methoxybenzene-1,2-diol
3-[(3r)-8,8-dimethyl-2h,3h,4h-pyrano[3,2-g]chromen-3-yl]-6-methoxybenzene-1,2-diol
8-hydroxy-3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2h-naphthalen-1-one
(9r)-9,12-dihydroxy-5-methoxy-2,2,9-trimethyl-8,10-dihydro-1-oxatetraphen-11-one
methyl (8z)-10-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}dec-8-en-4,6-diynoate
(3s)-3-(2-hydroxy-4-methoxyphenyl)-8,8-dimethyl-2h,4h-pyrano[2,3-f]chromen-3-ol
(3r)-3-(2,4-dihydroxyphenyl)-7-methoxy-6-(3-methylbut-2-en-1-yl)-2,3-dihydro-1-benzopyran-4-one
(1r,10r)-14-methoxy-10-(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2,4,6,11(16),12,14-hexaene-5,13-diol
(3r)-7-[(1s,3r)-3,7-dimethoxy-1,3-dihydro-2-benzofuran-1-yl]-3-hydroxy-3-methyl-2,4-dihydronaphthalen-1-one
(2s)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-methyl-6-(3-methylbut-2-en-1-yl)-2,3-dihydro-1-benzopyran-4-one
1-(3-hydroxy-4-methoxybenzoyl)-6,7-dimethoxy-2-methylisoquinolin-2-ium
[C20H20NO5]+ (354.13414100000006)