Exact Mass: 312.14086000000003
Exact Mass Matches: 312.14086000000003
Found 340 metabolites which its exact mass value is equals to given mass value 312.14086000000003,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Benzyl butyl phthalate
CONFIDENCE standard compound; INTERNAL_ID 837; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10079; ORIGINAL_PRECURSOR_SCAN_NO 10074 CONFIDENCE standard compound; INTERNAL_ID 837; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10050; ORIGINAL_PRECURSOR_SCAN_NO 10045 CONFIDENCE standard compound; INTERNAL_ID 837; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10050; ORIGINAL_PRECURSOR_SCAN_NO 10048 CONFIDENCE standard compound; INTERNAL_ID 837; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10020; ORIGINAL_PRECURSOR_SCAN_NO 10018 CONFIDENCE standard compound; INTERNAL_ID 837; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10069; ORIGINAL_PRECURSOR_SCAN_NO 10066 CONFIDENCE standard compound; INTERNAL_ID 837; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9995; ORIGINAL_PRECURSOR_SCAN_NO 9990 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3597 CONFIDENCE standard compound; INTERNAL_ID 8369 D009676 - Noxae > D013723 - Teratogens
Olanzapine
C17H20N4S (312.14086000000003)
Olanzapine was the third atypical antipsychotic to gain approval by the Food and Drug Administration (FDA) and has become one of the most commonly used atypical antipsychotics. Olanzapine has been approved by the FDA for the treatment of schizophrenia, acute mania in bipolar disorder, agitation associated with schizophrenia and bipolar disorder, and as maintenance treatment in bipolar disorder and psychotic depression. It has also been established in treating depression off-label because of its mood-stabilizing properties and its ability to increase the efficacy of antidepressants. Olanzapine is manufactured and marketed by the pharmaceutical company Eli Lilly and Company. It is available as a pill that comes in the strengths of 2.5 mg, 5 mg, 7.5 mg, 10 mg, 15 mg, and 20 mg and as as Zydis orally disintegrating tablets in the strengths of 5 mg, 10 mg, 15 mg, and 20 mg. It is also available as a rapid-acting intramuscular injection for short term acute use. Olanzapine (oh-LAN-za-peen, sold as Zyprexa, Zydis, or in combination with fluoxetine, as Symbyax) was the third atypical antipsychotic to gain approval by the Food and Drug Administration (FDA) and has become one of the most commonly used atypical antipsychotics. Olanzapine has been approved by the FDA for the treatment of schizophrenia, acute mania in bipolar disorder, agitation associated with schizophrenia and bipolar disorder, and as maintenance treatment in bipolar disorder and psychotic depression. Olanzapine was the third atypical antipsychotic to gain approval by the Food and Drug Administration (FDA) and has become one of the most commonly used atypical antipsychotics. Olanzapine has been approved by the FDA for the treatment of schizophrenia, acute mania in bipolar disorder, agitation associated with schizophrenia and bipolar disorder, and as maintenance treatment in bipolar disorder and psychotic depression. N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AH - Diazepines, oxazepines, thiazepines and oxepines D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics CONFIDENCE standard compound; INTERNAL_ID 1517 D049990 - Membrane Transport Modulators Olanzapine (LY170053) is a selective, orally active monoaminergic antagonist with high affinity binding to serotonin H1, 5HT2A/2C, 5HT3, 5HT6 (Ki=7, 4, 11, 57, and 5 nM, respectively), dopamine D1-4 (Ki=11 to 31 nM), muscarinic M1-5 (Ki=1.9-25 nM), and adrenergic α1 receptor (Ki=19 nM). Olanzapine is an atypical antipsychotic[1][2].
2',3,4',5-Tetrahydroxy-4-prenylstilbene
2,3,4,5-Tetrahydroxy-4-prenylstilbene is found in fruits. 2,3,4,5-Tetrahydroxy-4-prenylstilbene is a constituent of Artocarpus incisus (breadfruit) and Morus alba (white mulberry) Constituent of Artocarpus incisus (breadfruit) and Morus alba (white mulberry). 2,3,4,5-Tetrahydroxy-4-prenylstilbene is found in fruits.
m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid
AR-42
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C471 - Enzyme Inhibitor > C1946 - Histone Deacetylase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Phenylalanylphenylalanine
Phenylalanylphenylalanine (Phe-Phe) is a peptide made of two phenylalanine molecules. Phenylalanine is an essential amino acid and the precursor for the amino acid tyrosine. Like tyrosine, it is the precursor of catecholamines in the body (tyramine, dopamine, epinephrine and norepinephrine). The psychotropic drugs (mescaline, morphine, codeine, and papaverine) also have phenylalanine as a constituent. Phenylalanine is a precursor of the neurotransmitters called catecholamines, which are adrenalin-like substances. Phenylalanine is highly concentrated in the human brain and plasma. The Phe-Phe recognition motif of the Alzheimer?s Abeta peptide is the smallest peptide able to assemble into higher ?order structures.(PMC:1796831) [HMDB] Phenylalanylphenylalanine (Phe-Phe) is a peptide made of two phenylalanine molecules. Phenylalanine is an essential amino acid and the precursor for the amino acid tyrosine. Like tyrosine, it is the precursor of catecholamines in the body (tyramine, dopamine, epinephrine and norepinephrine). The psychotropic drugs (mescaline, morphine, codeine, and papaverine) also have phenylalanine as a constituent. Phenylalanine is a precursor of the neurotransmitters called catecholamines, which are adrenalin-like substances. Phenylalanine is highly concentrated in the human brain and plasma. The Phe-Phe recognition motif of Alzheimers amyloid-beta peptide is the smallest peptide able to assemble into higher-order structures (PMID: 17172307).
4-(3-Methyl-1-butenyl)-3,3',4',5-tetrahydroxystilbene
(E,E)-Arachidin I is found in nuts. (E,E)-Arachidin I is a constituent of peanuts (Arachis hypogaea). Constituent of peanuts (Arachis hypogaea). (E,E)-Arachidin I is found in nuts.
Chloropanaxydiol
C17H25ClO3 (312.14921300000003)
Chloropanaxydiol is found in tea. Chloropanaxydiol is isolated from the dried callus of Panax ginseng (ginseng
(1E)-5-hydroxy-1,7-bis(4-hydroxyphenyl)hept-1-en-3-one
Gancaonin V
Gancaonin V is found in herbs and spices. Gancaonin V is a constituent of Glycyrrhiza uralensis (Chinese licorice). Constituent of Glycyrrhiza uralensis (Chinese licorice). Gancaonin V is found in herbs and spices.
Honyudisin
Honyudisin is found in citrus. Honyudisin is a constituent of Citrus grandis (pummelo). Constituent of Citrus grandis (pummelo). Honyudisin is found in citrus.
(S)-N-Hydroxy-4-(3-methyl-2-phenylbutanamido)benzamide
Chlorin
21,22,23,24-Tetrahydroporphyrin
Ethyl 4-methyl-5-(1-methylethoxy)-9H-pyrido(3,4-b)indole-3-carboxylate
D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018756 - GABA Antagonists D002491 - Central Nervous System Agents > D000927 - Anticonvulsants
Nordentatin
Nordentatin is a member of the class of compounds known as angular pyranocoumarins. Angular pyranocoumarins are organic compounds containing a pyran (or a hydrogenated derivative) angularly fused to a coumarin moiety. Nordentatin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Nordentatin can be found in sweet orange, which makes nordentatin a potential biomarker for the consumption of this food product.
Eriosematin
Eriosematin is a natural product found in Eriosema tuberosum with data available.
Desmosdumotin C
Ethanediamide, N-(2-ethoxyphenyl)-N-(2-ethylphenyl)-
olanzapine
C17H20N4S (312.14086000000003)
N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AH - Diazepines, oxazepines, thiazepines and oxepines D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics D049990 - Membrane Transport Modulators CONFIDENCE standard compound; INTERNAL_ID 1517 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3697 Olanzapine (LY170053) is a selective, orally active monoaminergic antagonist with high affinity binding to serotonin H1, 5HT2A/2C, 5HT3, 5HT6 (Ki=7, 4, 11, 57, and 5 nM, respectively), dopamine D1-4 (Ki=11 to 31 nM), muscarinic M1-5 (Ki=1.9-25 nM), and adrenergic α1 receptor (Ki=19 nM). Olanzapine is an atypical antipsychotic[1][2].
1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)hept-4-en-3-one
7,12-dihydroxy-1,5(10),6,8,12-abietapentaene-11,14-dione|sanigerone
2-Phenyl-4--6-hydroxymethyl-2,3-dihydro-1,4-benzoxazin-3-on|6-hydroxymethyl-4-(2-methylamino-ethyl)-2-phenyl-4H-benzo[1,4]oxazin-3-one
2,6-dimethyl-8-[(2-oxo-2h-1-benzopyran-7-yl)oxy]-2,6-octadienal
<5-(2-Methoxy-4-vinylphenyl)-3-furylmethyl>angelat|Angeloyl-4-Hydroxymethyl-2-(2-methoxy-5-vinylphenyl)-furan|[5-(2-Methoxy-4-vinylphenyl)-3-furylmethyl]angelat
2-(4-hydroxy-phenyl)-6-methyl-4-(2-methylamino-ethyl)-4H-benzo[1,4]oxazin-3-one|2-<4(?)-Hydroxyphenyl>-4--6-methyl-2,3-dihydro-1,4-benzoxazin-3-on
2-carboxyl-4-(3-methyl-but-2-enyl)-5-methoxy-(1,1-biphenyl)-3-ol
6-(4-hydroxy-6-oxo-8-phenyloct-1,7-dienyl)-5,6-dihydro-2H-pyran-2-one
2,2,4,4-tetramethyl-6-(1-oxo-3-phenylprop-2-enyl)cyclohexane-1,3,5-trione|champanone A
(Z)-Diversin|5-Oxo-Delta3-aurapten|7-(3,7-dimethyl-5-oxoocta-3E,6-dienyloxy)coumarin
(4E)-1-(4-dihydroxy-phenyl)-7-(3,4-hydroxyphenyl)-heptene-3-one|(4E)-1-(4-hydroxyphenyl)-7-(3,4-dihydroxyphenyl)heptene-3-one|1-(4-hydroxyphenyl)-7-(3,4-dihydroxyphenyl)-4(E)-hepten-3-one|alusenone|alusenone 1a
3-methoxy-4-hydroxy-5,7-epoxy-8,4-oxyneolign-7E-ene
(2R, 3R)-2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-7-hydroxy-3-methyl-5-(E)-propenylbenzofuran|callislignan A
(E)-3-(3-methyl-2-butenyloxy)-3,4,5-trihydroxystilbene
(E)-2-(3-methyl-2-buten-1-yl)-3,3,4,5-tetrahydroxystilbene
5-(3-methoxy-1-propen-1-yl)-3-[4-(2-propen-1-yl)phenoxy]-1,2-benzenediol|9-methoxyobovatol
(1R,3R,5S,6E)-1,7-bis(4-hydroxyphenyl)-1,5-epoxy-3-hydroxyhept-6-ene
4,12-dihydroxy-2-oxatricyclo[13.2.2.13,7]icosa-3,5,7(20),15,17,18-hexaen-10-one|9-oxoacerogenin A
10-Chloro-1-heptadecene-4,6-diyne-3,8,9-triol
C17H25ClO3 (312.14921300000003)
13,15-Diacetoxy-pentadeca-8,10-dien-2,4,6-triin|13,15-diacetoxy-pentadeca-8,10-diene-2,4,6-triyne|Centaur X(1)
6-hydroxy-7-[(E,E)-3,7-dimethyl-2,4,7-octatrienyloxy]coumarin
butyl 2-[(benzoyloxy)methyl]benzoate|n-butyl 2-benzoyloxymethylbenzoate|spatozoate
1,2,6,7,8,9-Hexahydro-1,6,6-trimethyl-3,11-dioxanaphth[2,1-e]azulene-10,12-dione
1-(2-hydroxy-6-[(1E)-2-(4-hydroxyphenyl)ethenyl]-4-methoxyphenyl)-2-methyl-1-propanone|1-{2-hydroxy-6-[(1E)-2-(4-hydroxyphenyl)ethenyl]-4-methoxyphenyl}-2-methyl-1-propanone
Macaline A
See also: Lepidium meyenii root (part of). Lepidiline A shows cytotoxic activity against HL-60 cells with an IC50 of 32.3 μM.
5-hydroxy-2,2-dimethyl-10-(2-methylbut-3-en-2-yl)pyrano[3,2-g]chromen-8-one
(E)-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)hept-4-en-3-one
5-hydroxy-2,2-dimethyl-10-(2-methylbut-3-en-2-yl)pyrano[3,2-g]chromen-8-one
(E)-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)hept-4-en-3-one
5-hydroxy-2,2-dimethyl-10-(2-methylbut-3-en-2-yl)pyrano[3,2-g]chromen-8-one [IIN-based on: CCMSLIB00000846817]
5-hydroxy-2,2-dimethyl-10-(2-methylbut-3-en-2-yl)pyrano[3,2-g]chromen-8-one [IIN-based: Match]
NEOPENTYL GLYCOL DIBENZOATE
CONFIDENCE standard compound; INTERNAL_ID 812; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10022; ORIGINAL_PRECURSOR_SCAN_NO 10019 CONFIDENCE standard compound; INTERNAL_ID 812; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10040; ORIGINAL_PRECURSOR_SCAN_NO 10037 CONFIDENCE standard compound; INTERNAL_ID 812; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10068; ORIGINAL_PRECURSOR_SCAN_NO 10063 CONFIDENCE standard compound; INTERNAL_ID 812; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10088; ORIGINAL_PRECURSOR_SCAN_NO 10086 CONFIDENCE standard compound; INTERNAL_ID 812; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10122; ORIGINAL_PRECURSOR_SCAN_NO 10118 CONFIDENCE standard compound; INTERNAL_ID 812; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10091; ORIGINAL_PRECURSOR_SCAN_NO 10086
4-(3-Methyl-1-butenyl)-3,3',4',5-tetrahydroxystilbene
Chloropanaxydiol
C17H25ClO3 (312.14921300000003)
honyudisin
2-CHLORO-1-(TETRAHYDRO-2H-PYRAN-2-YL)-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-IMIDAZOLE
4-(3,4,5-TRIMETHOXY-PHENYL)-2,3-DIHYDRO-1H-BENZO[B][1,4]DIAZEPINE
tert-butyl 3-[(6-chloropyrimidin-4-yl)amino]piperidine-1-carboxylate
TERT-BUTYL (1-(6-CHLOROPYRIMIDIN-4-YL)PIPERIDIN-4-YL)CARBAMATE
TERT-BUTYL 4-(6-CHLORO-2-METHYL-4-PYRIMIDINYL)TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE
(4-((2-(PIPERIDIN-1-YL)ETHYL)CARBAMOYL)PHENYL)BORONIC ACID HYDROCHLORIDE
2-[ETHYL[4-[2-(4-NITROPHENYL)ETHENYL]PHENYL]AMINO]ETHANOL
tert-butyl [1-(6-chloropyridazin-3-yl)piperidin-4-yl]carbamate
Ethyl7-benzyl-4-hydroxy-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxylate
[1-(2-CHLORO-PYRIMIDIN-4-YL)-PIPERIDIN-4-YL]-CARBAMIC ACID TERT-BUTYL ESTER
tert-Butyl 4-[(6-chloropyrimidin-4-yl)amino]piperidine-1-carboxylate
2,3-Dihydro-2-spiro-7-[8-imino-7,8-dihydronaphthalen-1-amine]perimidine
2,2-[Methylenebis(2,1-phenyleneoxymethylene)]dioxirane
2-[p-(Dimethylamino)benzoyl]-5-(dimethylamino)benzoic acid
Methyl 4-(benzyloxy)-3-(cyclopropylMethoxy)benzoate
N-(4-Amino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetamide, HCl
(3-((2-(PIPERIDIN-1-YL)ETHYL)CARBAMOYL)PHENYL)BORONIC ACID HYDROCHLORIDE
2-ethylhexyl (4-chloro-2-methylphenoxy)acetate
C17H25ClO3 (312.14921300000003)
1-(2-Methoxyethyl)-2-[(4-methoxyphenoxy)methyl]benzimidazole
1,7-Bis(4-hydroxyphenyl)-5-hydroxy-1-heptene-3-one
(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propylidene]amino]-3-(4-hydroxyphenyl)propanal
N-(4-methylphenyl)-2-pyridin-4-yl-4-quinazolinamine
5-methyl-6-pyridin-4-yl-6H-benzimidazolo[1,2-c]quinazoline
6-methyl-6-pyridin-4-yl-12H-benzimidazolo[1,2-c]quinazoline
6,7-dimethoxy-N-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
4-[2-(3-Fluorophenyl)-5-methyl-7-pyrazolo[1,5-a]pyrimidinyl]morpholine
N-[4-cyano-1-(4-fluorophenyl)-1H-pyrazol-5-yl]cyclohexanecarboxamide
N-(3-methoxyphenyl)-4-[(2-methyl-1-oxopropyl)amino]benzamide
(E)-3-(((quinolin-8-ylmethylene)amino)oxy)butyl cyclopropanecarboxylate
methyl 2-methyl-4-(6-methylpyridin-2-yl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
1-(3,4-Dihydroxyphenyl)-7-(4-hydroxyphenyl)-4-hepten-3-one
(2-Hydroxy-3-phosphonooxypropyl) nonanoate
C12H25O7P (312.13378300000005)
Butylbenzyl phthalate
D009676 - Noxae > D013723 - Teratogens
Ethyl 4-methyl-5-(1-methylethoxy)-9H-pyrido(3,4-b)indole-3-carboxylate
D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018756 - GABA Antagonists D002491 - Central Nervous System Agents > D000927 - Anticonvulsants
1-chloro-8-(3-heptyloxiran-2-yl)octa-4,6-diyne-2,3-diol
C17H25ClO3 (312.14921300000003)
4-(3-Methyl-1-butenyl)-3,3,4,5-tetrahydroxystilbene
(2S)-2-{[(2S)-2-azaniumyl-3-phenylpropanoyl]amino}-3-phenylpropanoate
Phe-Phe zwitterion
An L-aminoacyl-L-amino acid zwitterion resulting from transfer of a proton from the carboxy to the amino group of L-phenylalanyl-L-phenylalanine; major species at pH 7.3.
HCV-IN-31
C12H17FN6O3 (312.13461040000004)
HCV-IN-31 (compound 4) is a HCV inhibitor, with an EC50/EC95 of 15.7 μM for HCV replicon[1].
1-{2-hydroxy-6-[(1e)-2-(4-hydroxyphenyl)ethenyl]-4-methoxyphenyl}-2-methylpropan-1-one
3-hydroxy-5-methoxy-4,6,6-trimethyl-2-[(2e)-3-phenylprop-2-enoyl]cyclohexa-2,4-dien-1-one
2-(3-hydroxy-5-methoxy-2,4,6-trimethylphenyl)-5-methyl-1-benzofuran-4-ol
(1r,4s,13r,16s)-11-methyl-4-(prop-1-en-2-yl)-14-oxatetracyclo[8.5.1.0²,⁸.0¹³,¹⁶]hexadeca-2(8),10-diene-6,9,15-trione
7-[(3,7-dimethylocta-2,4,7-trien-1-yl)oxy]-6-hydroxychromen-2-one
(1r,13r,16s,18r)-3-hydroxy-13,17,17-trimethyl-8,12-dioxapentacyclo[11.4.1.0²,¹¹.0⁴,⁹.0¹⁶,¹⁸]octadeca-2(11),3,5,9-tetraen-7-one
7-{[(3e)-3,7-dimethyl-5-oxoocta-3,6-dien-1-yl]oxy}chromen-2-one
3,11,17-trihydroxytricyclo[12.3.1.1²,⁶]nonadeca-1(18),2(19),3,5,14,16-hexaen-9-one
2-(1-hydroxy-3-phenylprop-2-en-1-ylidene)-5-methoxy-4,6,6-trimethylcyclohex-4-ene-1,3-dione
(12s,15r)-11,11,15-trimethyl-4,10,19-trioxapentacyclo[13.3.1.0³,⁸.0⁹,¹⁸.0¹²,¹⁷]nonadeca-1(18),2,6,8-tetraen-5-one
3-hydroxy-2-isopropyl-8,8-dimethyl-6,7-dihydrophenanthrene-1,4,5-trione
(10s)-4,10-dihydroxy-2-oxatricyclo[13.2.2.1³,⁷]icosa-1(17),3(20),4,6,15,18-hexaen-8-one
1-{2-hydroxy-6-[2-(4-hydroxyphenyl)ethenyl]-4-methoxyphenyl}-2-methylpropan-1-one
2,2,4,4-tetramethyl-6-[(2e)-3-phenylprop-2-enoyl]cyclohexane-1,3,5-trione
(1s)-1-(hydroxymethyl)-6,6-dimethyl-1h,2h,7h,8h,9h-phenanthro[1,2-b]furan-10,11-dione
6-(4-hydroxy-6-oxo-8-phenylocta-1,7-dien-1-yl)-5,6-dihydropyran-2-one
2-(acetyloxy)-5,8-dimethyl-3-(prop-1-en-2-yl)naphthalen-1-yl acetate
5-[2-(3,4-dihydroxyphenyl)ethenyl]-2-(3-methylbut-1-en-1-yl)benzene-1,3-diol
(1r,11r,12s,13s,16r)-12-hydroxy-8,16-dimethyl-14-oxapentacyclo[11.2.2.1⁹,¹².0¹,¹¹.0⁴,¹⁰]octadeca-4,7,9-triene-6,15-dione
3-hydroxy-13,17,17-trimethyl-6,12-dioxapentacyclo[11.4.1.0²,¹¹.0⁵,¹⁰.0¹⁶,¹⁸]octadeca-2,4,8,10-tetraen-7-one
1,2,6,7,8,9-hexahydro-1,6,6-trimethyl-3,11-dioxanaphtho[2,1-e]azulene-10,12-dione
{"Ingredient_id": "HBIN000677","Ingredient_name": "1,2,6,7,8,9-hexahydro-1,6,6-trimethyl-3,11-dioxanaphtho[2,1-e]azulene-10,12-dione","Alias": "NA","Ingredient_formula": "C19H20O4","Ingredient_Smile": "CC1COC2=C1C(=O)OC(=O)C3=C2C=CC4=C3CCCC4(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "33947","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
anticancerstilbenoid pmv70p691-039
{"Ingredient_id": "HBIN016359","Ingredient_name": "anticancerstilbenoid pmv70p691-039","Alias": "NA","Ingredient_formula": "C19H20O4","Ingredient_Smile": "CC(=CCC1=C(C=C(C(=C1)C=CC2=CC(=CC(=C2)O)O)O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1443","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4,10-dihydroxy-2-oxatricyclo[13.2.2.1³,⁷]icosa-1(17),3(20),4,6,15,18-hexaen-8-one
3-hydroxy-5-methoxy-4-(3-methylbut-2-en-1-yl)-[1,1'-biphenyl]-2-carboxylic acid
(6s)-6-[(1e,4r,7e)-4-hydroxy-6-oxo-8-phenylocta-1,7-dien-1-yl]-5,6-dihydropyran-2-one
(12s,17s)-17-hydroxy-8,16-dimethyl-14-oxapentacyclo[11.2.2.1⁹,¹².0¹,¹¹.0⁴,¹⁰]octadeca-4,7,9-triene-6,15-dione
2-[(6-oxo-2,3-dihydropyran-2-yl)methyl]-6-(2-phenylethyl)-2,3-dihydropyran-4-one
7-{[(3e)-3,7-dimethyl-5-oxoocta-3,7-dien-1-yl]oxy}chromen-2-one
4-[2-(3,5-dihydroxyphenyl)ethenyl]-6-(3-methylbut-2-en-1-yl)benzene-1,3-diol
4-(2h-1,3-benzodioxol-5-yl)-1-(4-hydroxyphenyl)-2,3-dimethylbutan-1-one
5,6,8-trimethoxy-3-phenyl-3,4-dihydro-2h-naphthalen-1-one
5,13-dimethoxy-8-(methoxymethyl)tricyclo[9.4.0.0²,⁷]pentadeca-1(15),2,4,6,8,11,13-heptaen-4-ol
(3r)-5,6,8-trimethoxy-3-phenyl-3,4-dihydro-2h-naphthalen-1-one
9-hydroxy-1,6,6-trimethyl-1h,2h,7h,8h,9h-phenanthro[1,2-b]furan-10,11-dione
(4r)-4,5,5,9,9-pentamethyl-3,8,14-trioxatetracyclo[11.4.0.0²,⁶.0⁷,¹²]heptadeca-1,6,10,12,16-pentaen-15-one
(1s,13s,16r,18s)-9-hydroxy-13,17,17-trimethyl-4,12-dioxapentacyclo[11.4.1.0²,¹¹.0³,⁸.0¹⁶,¹⁸]octadeca-2,6,8,10-tetraen-5-one
(1e,5r)-5-hydroxy-1,7-bis(4-hydroxyphenyl)hept-1-en-3-one
4-acetyl-3-(2h-1,3-benzodioxol-5-yl)-4a,5,6,7,8,8a-hexahydro-4h-naphthalen-1-one
3,10-dihydroxy-2-isopropyl-8,8-dimethyl-7h-phenanthrene-1,4-dione
5-(furan-3-yl)-6'-methyl-3'-oxaspiro[oxolane-3,7'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1',4'(12')-dien-2-one
(1r,11s,12r,13s,16r)-11-hydroxy-8,16-dimethyl-14-oxapentacyclo[11.2.2.1⁹,¹².0¹,¹¹.0⁴,¹⁰]octadeca-4,7,9-triene-6,15-dione
2,6-dimethyl-8-[(2-oxochromen-7-yl)oxy]octa-2,6-dienal
4,5,5,15,15-pentamethyl-3,8,14-trioxatetracyclo[11.4.0.0²,⁶.0⁷,¹²]heptadeca-1,6,10,12,16-pentaen-9-one
4-methoxy-2,11-dioxatricyclo[13.2.2.1³,⁷]icosa-1(17),3(20),4,6,15,18-hexaen-12-one
5-[(4z)-5-(4-hydroxyphenyl)penta-1,4-dien-3-yl]-2,3-dimethoxyphenol
7-[(3,7-dimethyl-5-oxoocta-2,6-dien-1-yl)oxy]chromen-2-one
(4s)-4,5,5,9,9-pentamethyl-3,8,14-trioxatetracyclo[11.4.0.0²,⁶.0⁷,¹²]heptadeca-1,6,10,12,16-pentaen-15-one
3-(4-hydroxy-3-methoxyphenyl)propyl (2e)-3-phenylprop-2-enoate
7-{[(2e)-3,7-dimethyl-5-oxoocta-2,6-dien-1-yl]oxy}chromen-2-one
(1r,11r,12r,13s,16r)-11-hydroxy-8,16-dimethyl-14-oxapentacyclo[11.2.2.1⁹,¹².0¹,¹¹.0⁴,¹⁰]octadeca-4,7,9-triene-6,15-dione
3-(4-methoxyphenyl)propyl (2e)-3-(4-hydroxyphenyl)prop-2-enoate
(1r,13r,14s,17s,18r)-9,13,17-trimethyl-4,12,19-trioxapentacyclo[11.5.1.0²,¹¹.0⁵,¹⁰.0¹⁴,¹⁸]nonadeca-2(11),5,7,9-tetraen-3-one
(1r,9r)-9-hydroxy-1,6,6-trimethyl-1h,2h,7h,8h,9h-phenanthro[1,2-b]furan-10,11-dione
6-(1-hydroxy-3-phenylprop-2-en-1-ylidene)-2,2,4,4-tetramethylcyclohexane-1,3,5-trione
(4ar)-6-hydroxy-5-methoxy-1,1,4a,7-tetramethylphenanthrene-2,9-dione
5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-en-1-yl)pyrano[2,3-f]chromen-4-one
(3s)-8-[2-(4-hydroxyphenyl)ethyl]-3-methyl-2h-1-benzoxepine-3,6-diol
9-hydroxy-13,17,17-trimethyl-4,12-dioxapentacyclo[11.4.1.0²,¹¹.0³,⁸.0¹⁶,¹⁸]octadeca-2,6,8,10-tetraen-5-one
5-hydroxy-2-methyl-2-(4-methylpent-3-en-1-yl)pyrano[2,3-h]chromen-8-one
2-(furan-3-yl)-6a,10b-dimethyl-1h,2h,6h,10h,10ah-naphtho[2,1-c]pyran-4,7-dione
6-[(2e)-1-hydroxy-3-phenylprop-2-en-1-ylidene]-2,2,4,4-tetramethylcyclohexane-1,3,5-trione
4-[7-methoxy-3-methyl-5-(prop-1-en-1-yl)-2,3-dihydro-1-benzofuran-2-yl]benzene-1,2-diol
(3s)-3-hydroxy-3-methyl-11-(4-oxocyclohexa-2,5-dien-1-ylidene)-2h,4h,6h,7h,8h,9h-pyridazino[1,2-a]indazol-1-one
9-hydroxy-3,6-dimethoxy-1,1,7-trimethylphenanthren-2-one
8,8-dimethyl-10-[(3-methylbut-2-en-1-yl)oxy]pyrano[3,2-g]chromen-2-one
(2r,6ar,10as,10bs)-2-(furan-3-yl)-6a,10b-dimethyl-1h,2h,6h,10h,10ah-naphtho[2,1-c]pyran-4,7-dione
(4as,5s)-5-(1h-indol-2-yl)-1h,2h,3h,4h,4ah,6h,8h-oxepino[4,5-c]pyridine-5-carboxylic acid
1-(acetyloxy)pentadeca-5,7-dien-9,11,13-triyn-3-yl acetate
4,18-dihydroxy-2-oxatricyclo[13.3.1.1³,⁷]icosa-1(19),3(20),4,6,15,17-hexaen-10-one
(2e,6e)-2,6-dimethyl-8-[(2-oxochromen-7-yl)oxy]octa-2,6-dienal
(12r,15s,17s)-11,11,15-trimethyl-4,10,19-trioxapentacyclo[13.3.1.0³,⁸.0⁹,¹⁸.0¹²,¹⁷]nonadeca-1(18),2,6,8-tetraen-5-one
3-hydroxy-13,17,17-trimethyl-8,12-dioxapentacyclo[11.4.1.0²,¹¹.0⁴,⁹.0¹⁶,¹⁸]octadeca-2(11),3,5,9-tetraen-7-one
4,12-dihydroxy-2-oxatricyclo[13.2.2.1³,⁷]icosa-1(17),3(20),4,6,15,18-hexaen-8-one
(2s,3r)-4-(2h-1,3-benzodioxol-5-yl)-1-(4-hydroxyphenyl)-2,3-dimethylbutan-1-one
(10r)-4,10-dihydroxy-2-oxatricyclo[13.2.2.1³,⁷]icosa-1(17),3(20),4,6,15,18-hexaen-8-one
5-[2-(2,4-dihydroxyphenyl)ethenyl]-2-(3-methylbut-1-en-1-yl)benzene-1,3-diol
7-{[(2e,4e)-3,7-dimethylocta-2,4,7-trien-1-yl]oxy}-6-hydroxychromen-2-one
11-methyl-4-(prop-1-en-2-yl)-14-oxatetracyclo[8.5.1.0²,⁸.0¹³,¹⁶]hexadeca-2(8),10-diene-6,9,15-trione
(1s,13s,16r,18s)-3-hydroxy-13,17,17-trimethyl-6,12-dioxapentacyclo[11.4.1.0²,¹¹.0⁵,¹⁰.0¹⁶,¹⁸]octadeca-2,4,8,10-tetraen-7-one
(2s,4s,6r)-2-(4-hydroxyphenyl)-6-[(1e)-2-(4-hydroxyphenyl)ethenyl]oxan-4-ol
3-(4-hydroxy-3-methoxyphenyl)propyl 3-phenylprop-2-enoate
(4r,4as,8as)-4-acetyl-3-(2h-1,3-benzodioxol-5-yl)-4a,5,6,7,8,8a-hexahydro-4h-naphthalen-1-one
(3r,5e,7e)-1-(acetyloxy)pentadeca-5,7-dien-9,11,13-triyn-3-yl acetate
(10r)-4,10-dihydroxy-2-oxatricyclo[13.2.2.1³,⁷]icosa-1(17),3(20),4,6,15,18-hexaen-12-one
(1s,11s,12s,13r,16s,17r)-17-hydroxy-8,16-dimethyl-14-oxapentacyclo[11.2.2.1⁹,¹².0¹,¹¹.0⁴,¹⁰]octadeca-4,7,9-triene-6,15-dione
4-[(2s,3s)-7-methoxy-3-methyl-5-[(1e)-prop-1-en-1-yl]-2,3-dihydro-1-benzofuran-2-yl]benzene-1,2-diol
(1r)-10-hydroxy-1,6,6-trimethyl-1h,2h,7h,8h,9h-phenanthro[1,2-b]furan-5,11-dione
5-[(1e)-2-(2,4-dihydroxyphenyl)ethenyl]-2-[(1e)-3-methylbut-1-en-1-yl]benzene-1,3-diol
methyl (4bs,6r)-6-methoxy-5h,6h,10h,12h,13h-indolo[7a,1-a]2,6-naphthyridine-3-carboxylate
7-[(3-methylbut-2-en-1-yl)oxy]-8-[(2s,3s)-3-(prop-1-en-2-yl)oxiran-2-yl]chromen-2-one
(3r,8s,9s,10r)-10-chloroheptadec-1-en-4,6-diyne-3,8,9-triol
C17H25ClO3 (312.14921300000003)
(2s,3r)-1-chloro-8-[(2r,3s)-3-heptyloxiran-2-yl]octa-4,6-diyne-2,3-diol
C17H25ClO3 (312.14921300000003)
(2e)-3-(4-hydroxy-5-methoxycyclohexa-2,4-dien-1-yl)prop-2-en-1-yl 3-phenylprop-2-enoate
2-(3,5-dimethoxy-2,4-dimethylphenyl)-5-methyl-1-benzofuran-4-ol
1-(hydroxymethyl)-6,6-dimethyl-1h,2h,7h,8h,9h-phenanthro[1,2-b]furan-10,11-dione
(12s,15r,17s)-11,11,15-trimethyl-4,10,19-trioxapentacyclo[13.3.1.0³,⁸.0⁹,¹⁸.0¹²,¹⁷]nonadeca-1(18),2,6,8-tetraen-5-one
(3s,8r,9r,10s)-10-chloroheptadec-1-en-4,6-diyne-3,8,9-triol
C17H25ClO3 (312.14921300000003)
12-hydroxy-8,16-dimethyl-14-oxapentacyclo[11.2.2.1⁹,¹².0¹,¹¹.0⁴,¹⁰]octadeca-4,7,9-triene-6,15-dione
(2r)-2-{[(2r)-6-oxo-2,3-dihydropyran-2-yl]methyl}-6-(2-phenylethyl)-2,3-dihydropyran-4-one
10-chloroheptadec-1-en-4,6-diyne-3,8,9-triol
C17H25ClO3 (312.14921300000003)
(3br,9bs)-7-acetyl-6-hydroxy-9b-methyl-3h,3bh,4h,5h,10h,11h-phenanthro[1,2-c]furan-1-one
10-hydroxy-1,6,6-trimethyl-1h,2h,7h,8h,9h-phenanthro[1,2-b]furan-5,11-dione
(2r,3r)-2-(4-hydroxy-3-methoxyphenyl)-3-methyl-5-[(1e)-prop-1-en-1-yl]-2,3-dihydro-1-benzofuran-7-ol
3-(4-methoxyphenyl)propyl 3-(4-hydroxyphenyl)prop-2-enoate
11-hydroxy-8,16-dimethyl-14-oxapentacyclo[11.2.2.1⁹,¹².0¹,¹¹.0⁴,¹⁰]octadeca-4,7,9-triene-6,15-dione
8-hydroxy-3-methyl-3,4,4a,5,6,6a,12a,12b-octahydro-2h-tetraphene-1,7,12-trione
(12s)-4,12-dihydroxy-2-oxatricyclo[13.2.2.1³,⁷]icosa-1(17),3(20),4,6,15,18-hexaen-8-one
4,10-dihydroxy-2-oxatricyclo[13.2.2.1³,⁷]icosa-1(17),3(20),4,6,15,18-hexaen-12-one
(4e,6s)-6-hydroxy-1,7-bis(4-hydroxyphenyl)hept-4-en-3-one
11,11,15-trimethyl-4,10,19-trioxapentacyclo[13.3.1.0³,⁸.0⁹,¹⁸.0¹²,¹⁷]nonadeca-1(18),2,6,8-tetraen-5-one
4-methoxy-2,11-dioxatricyclo[13.2.2.1³,⁷]icosa-1(17),3(20),4,6,15,18-hexaen-10-one
methyl 6-methoxy-5h,6h,10h,12h,13h-indolo[7a,1-a]2,6-naphthyridine-3-carboxylate
4,5,5,9,9-pentamethyl-3,8,14-trioxatetracyclo[11.4.0.0²,⁶.0⁷,¹²]heptadeca-1,6,10,12,16-pentaen-15-one
7-{[(2z)-3,7-dimethyl-5-oxoocta-2,6-dien-1-yl]oxy}chromen-2-one
(11r)-3,11,17-trihydroxytricyclo[12.3.1.1²,⁶]nonadeca-1(18),2(19),3,5,14,16-hexaen-9-one
(1r)-5-hydroxy-1,6,6-trimethyl-1h,2h,7h,8h,9h-phenanthro[1,2-b]furan-10,11-dione
5-[(1e)-2-(3,4-dihydroxyphenyl)ethenyl]-2-[(1e)-3-methylbut-1-en-1-yl]benzene-1,3-diol
7-[(3-methylbut-2-en-1-yl)oxy]-8-[3-(prop-1-en-2-yl)oxiran-2-yl]chromen-2-one
(2s,3s)-1-chloro-8-[(2s,3r)-3-heptyloxiran-2-yl]octa-4,6-diyne-2,3-diol
C17H25ClO3 (312.14921300000003)
5-[2-(2,4-dihydroxyphenyl)ethenyl]-2-(3-methylbut-2-en-1-yl)benzene-1,3-diol
(2r,3r)-2-(4-hydroxy-3-methoxyphenyl)-3-methyl-5-(prop-1-en-1-yl)-2,3-dihydro-1-benzofuran-7-ol
(4e)-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)hept-4-en-3-one
2,7-dihydroxy-3-isopropyl-9,9-dimethyl-15-oxatetracyclo[10.2.1.0⁵,¹⁴.0⁸,¹³]pentadeca-1,3,5(14),7,12-pentaen-6-one
1-hydroxy-2-isopropyl-8,8-dimethyl-6,7-dihydrophenanthrene-3,4,5-trione
(4r)-4,5,5,15,15-pentamethyl-3,8,14-trioxatetracyclo[11.4.0.0²,⁶.0⁷,¹²]heptadeca-1,6,10,12,16-pentaen-9-one
(1r,13r,16s)-11-methyl-4-(prop-1-en-2-yl)-14-oxatetracyclo[8.5.1.0²,⁸.0¹³,¹⁶]hexadeca-2(8),10-diene-6,9,15-trione
(2s)-2-amino-3-(6-benzyl-2-imino-1h-purin-9-yl)propanoic acid
C15H16N6O2 (312.13346759999996)