Exact Mass: 304.176
Exact Mass Matches: 304.176
Found 500 metabolites which its exact mass value is equals to given mass value 304.176,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Discadenine
A 6-isopentenylaminopurine having a 3-amino-3-carboxypropyl group attached at the 3-position.
8-Cyclopentyl-1,3-dipropylxanthine
D018377 - Neurotransmitter Agents > D058905 - Purinergic Agents > D058914 - Purinergic Antagonists DPCPX (PD 116948), a xanthine derivative, is a highly potent and selective Adenosine A1 receptor antagonist, with a Ki of 0.46 nM in 3H-CHA binding to A1 receptors in rat whole brain membranes[1][2][3].
12-epi-fischerindole U
A tetracyclic indole alkaloid that is produced by the Stigonematales genus of cyanobacteria.
hapalindole U
A hapalindole that is hapalindole H in which the octahydronaphthalene ring junction carbons both have S configuration instead of R.
2-Polyprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinone
This compound belongs to the family of Ubiquinones. These are coenzyme Q derivatives containing a 5, 6-dimethoxy-3-methyl(1,4-benzoquinone) moiety to which an isoprenyl group is attached at ring position 2(or 6).
3-Polyprenyl-4-hydroxy-5-methoxybenzoate
This compound belongs to the family of M-methoxybenzoic Acids and Derivatives. These are benzoic acids in which the hydrogen atom at position 3 of the benzene ring is replaced by a methoxy group
hapalindole H
A tetracyclic hapalindole alkaloid that is produced by the Stigonematales genus of cyanobacteria.
12-epi-Hapalindole U
A tetracyclic hapalindole that is hapalindole U in which the carbon bearing the vinyl group has S configuration instead of R. It is produced by the Stigonematales genus of cyanobacteria.
3-Methyladipoylcarnitine
3-Methyladipoylcarnitine is an acylcarnitine. More specifically, it is an 3-methylhexanedioic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 3-Methyladipoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 3-methyladipoylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). 3-Methyladipoylcarnitine has been identified in blood and urine (PMID: 31396400 ). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
Tert-butyl 4-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carboxylate
Estetrol
Estetrol, a natural estrogen synthesized exclusively during pregnancy by the human fetal liver, is a selective nuclear estrogen receptor modulator. Estetrol exerts estrogenic actions on the endometrium or the central nervous system but presents antagonistic effects on the breast[1][2].
Quinupramine
N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AA - Non-selective monoamine reuptake inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent > C94727 - Tricyclic Antidepressant
Estetrol
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Estetrol, a natural estrogen synthesized exclusively during pregnancy by the human fetal liver, is a selective nuclear estrogen receptor modulator. Estetrol exerts estrogenic actions on the endometrium or the central nervous system but presents antagonistic effects on the breast[1][2].
[1R-(1alpha,4abeta,6alpha,8aalpha)]-6-(Acetyloxy)-1,2,4a,5,6,8a-hexahydro-4,7-dimethyl-a-methylene-1-naphthaleneacetic acid methyl ester
[1R-(1alpha,4aalpha,6alpha,8aalpha)]-6-(Acetyloxy)-1,2,4a,5,6,8a-hexahydro-4,7-dimethyl-a-methylene-1-naphthaleneacetic acid methyl ester
Quinupramine
N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AA - Non-selective monoamine reuptake inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent > C94727 - Tricyclic Antidepressant
3,9-Bis(1,1-dimethyl-2-hydroxyethyl)-2,4,8,10-tetraoxaspiro[5.5]undecane
1,7,7-trimethylbicyclo[2.2.1]hept-2-yl 4-hydroxy-3-methoxybenzoate
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.396 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.395 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.397
2-METHYLENE-5-(2,5-DIOXOTETRAHYDROFURAN-3-YL)-6-OXO--10,10-DIMETHYLBICYCLO[7: 2: 0]UNDECANE
1H-indole-4-methanol, 2-methyl-3-[(2-methyl-1H-indol-4-yl)methyl]-
3-[(1E)-3-hydroxy-3-methyl-1-butenyl]-4-methoxy-5-(3-methyl-2-butenyl)benzoic acid
7-butyl-3,4-dihydro-6,8-dihydroxy-(3R)-pent-3-(E)-enylisochromen-1-one
(+-)-Discadenin|(S)-Discadenine|(??)-Discadenine|2-amino-4-[6-(3-methyl-but-2-enylamino)-purin-3-yl]-butyric acid|Discadenine
4-Methoxy-5-(2-hydroxy-3-methyl-3-butenyl)-3-prenylbenzoic acid
1-[5-acetyl-2-hydroxy-3-(3-hydroxy-3-methyl-1-butenyl)phenyl]-3-methyl-1-butanone
2,6-dihydroxy-4-geranyloxyacetophenone|4-O-(3,7-Dimethyl-2.6-octadienyl)-2,4,6-Trihydroxyacetophenone|4-(1-geranyloxy)-2,6-dihydroxyacetophenone
2,2,7-Trimethyl-3-acetoxy-4-isopropyl-6-methoxyindan-1-one
5a,6-methano-3a,9b-dimethyl-3,7-dioxo-cyclopentano[a]naphthalene-6-yl-ethanoic acid|ring A seco-17-octanor-5,17-dioxo-cycloartane-1-carboxylic acid
(1alpha,4beta,5beta,6beta,7beta,9alpha,10alpha)-1,4,6,9,15-Eudesmanepentol
3-(4-hydroxyisopent-2(Z)enyl)-5-(4-hydroxyisopent-2(E)-enyl)-4-hydroxyacetophenone|3-<4-hydroxyisopent-2(Z)enyl>-5-<4-hydroxyisopent-2(E)-enyl>-4-hydroxyacetophenone
3beta-[(2-methylacryloyl)oxy]-8-oxo-12-noreremophil-6-en-11-one|rel-(1R,2S,8aR)-7-acetyl-1,2,3,4,4a,5,6,8a-octahydro-1,8a-dimethyl-6-oxonaphthalen-2-yl 2-methylprop-2-enoate
1beta,14-dihydroxy-13-methoxy-8,11,13-podocarpatrien-7-one|3??,14-Dihydroxy-13-methoxy-8,11,13-podocarpatrien-7-one
2,3-dimethoxy-5-(3,7-dimethyl-octa-2(E),6-dienyl)-[1,4]benzoquinone|2,3-dimethoxy-5-(3,7-dimethylocta-2(E),6-dienyl)[1,4]benzoquinone|3-demethylubiquinone Q2|desmethylubiquinone Q2|glabruquinone A
18-hydroxy-13-methoxy-8,12-podcarpadiene-11,14-dione|18-Hydroxy-13-methoxy-8,12-podocarpadiene-11,14-dione
4,4a,5,6,7,9-Octahydro-3,4abeta,5beta-trimethyl-9-oxonaphtho<2,3-b>furan-4beta-yl-2-methylpropansaeureester
1-[3-(3,7-dimethylocta-2,6-dienyl)-2,4,6-trihydroxyphenyl]ethanone
beta-D-cymaropyranosyl (1->4)-D-oleandronic acid delta-lactone|perisesaccharide A
(Z)-N-(1-carbamimidoylpyrrolidin-2-yl)isoferulamide|isocernumidine
1,3,5-estratriene-3,7alpha,14alpha,17beta-tetrol|petromyzestrosterol
2-O-(3,7-Dimethyl-2.6-octadienyl)-2,4,6-Trihydroxyacetophenone
4-Hydroxymethyl-3-(2,4-dimethyl- 7 -indolyl)-2-methylindole
3beta-hydroxy-13-methoxy-8,12-podcarpadiene-11,14-dione|3??-Hydroxy-13-methoxy-8,12-podocarpadiene-11,14-dione
(Z)-docos-19-ene-2,9,11,13,21-pentayn-1-ol|Siphonochalynol
1-<2,4-dihydroxy-6-(3-methyl-2-butenyloxy)-5-(3-methyl-2-butenyl)>phenylethanone|1-[2,4-dihydroxy-6-(3-methyl-2-butenyloxy)-5-(3-methyl-2-butenyl)]phenylethanone|4,6-dihydroxy-2-(3-methyl-2-butenyloxy)-3-(3-methyl-2-butenyl)acetophenone
1beta,14-dihydroxy-13-methoxy-8,11,13-podocarpatrien-7-one
4-methoxy-6-pentyl-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-7-carboxylic acid
C18H24O4_7-Butyl-6,8-dihydroxy-3-[(3E)-3-penten-1-yl]-3,4-dihydro-1H-isochromen-1-one
C18H24O4_9(1H)-Phenanthrenone, 2,3,4,4a,10,10a-hexahydro-2,6-dihydroxy-7-methoxy-1,1,4a-trimethyl
2,6-dihydroxy-7-methoxy-1,1,4a-trimethyl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
Tschimganin
Origin: Plant; SubCategory_DNP: Sesquiterpenoids
(E)-1-(4-hydroxy-3-methoxyphenyl)dodec-4-en-3-one [IIN-based: Match]
2-Methylene-5-(2,5-Dioxotetrahydrofuran-3-Yl)-6-Oxo--10,10-Dimethylbicyclo[7: 2: 0]Undecane_major
4-Hydroxytestosterone
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1740 - Aromatase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist
Latanoprost lactone diol
ascr#10
An (omega-1)-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (8R)-8-hydroxynonanoic acid with ascarylopyranose (the alpha anomer). A metabolite of the nematode Caenorhabditis elegans, it is the direct biosynthetic precursor to ascr#3. It has also been detected in the sour paste nematode, Panagrellus redivivus.
oscr#10
An omega-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of 9-hydroxynonanoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans.
(5S,8R,9S,10S)-18-nor-cleroda-13-en-16,15-olide-3-one
(5S,8R,9S,10S)-18-nor-cleroda-13-en-16,15-olide-4-one
4,4,5,5-tetramethyl-2-[4-(2-phenylethynyl)phenyl]-1,3,2-dioxaborolane
2-(2,2,2-Trimethylacetamido) pyridine-3-boronic acid pinacol ester
(4-methoxyphenyl) 4-pentylcyclohexane-1-carboxylate
5-Methoxy-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine
5-(Morpholinomethyl)pyridine-3-boronic acid pinacol ester
2-ETHYLHEXYL α-CYANO-4-(3-METHYLOXAZOLIN-2-YLIDENE)CROTONATE
N,N-Diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-Pyridinecarboxamide
4-Methoxy-1-(triisopropylsilyl)-1H-pyrrolo[2,3-c]pyridine
2-((PROPIONYLOXY)METHOXY)BUTANE-1,4-DIYL DIPROPIONATE
ISOPROPYL 3-METHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOATE
4-((5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDIN-2-YL)METHYL)MORPHOLINE
methyl 4-(3-piperidin-1-ylpropylcarbamoyl)benzoate
(R)-tert-Butyl 4-benzyl-2-formylpiperazine-1-carboxylate
trans,trans-4-(3,4-Difluorophenyl)-4-vinylbicyclohexyl
4-METHOXY-1-TRIISOPROPYLSILANYL-1H-PYRROLO[2,3-B]PYRIDINE
TERT-BUTYL 4-(9H-PURIN-6-YL)PIPERAZINE-1-CARBOXYLATE
4-[2-(HydroxyMethyl)-1H-benzoimidazol-1-yl]butyl Pivalate
TERT-BUTYL4-(1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YL)PIPERAZINE-1-CARBOXYLATE
6alpha-Hydroxytestosterone
Tilisolol
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents
tert-butyl 4-cyano-4-(4-fluorophenyl)piperidine-1-carboxylate
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anthracene
2-(1,3-Dioxolan-2-yl)-1-phenylethylboronic acid pinacol ester
5-phenylmethoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
[5-(dimethylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
Boronic acid, [1-[(1,1-dimethylethyl)dimethylsilyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-, dimethyl ester (9CI)
4,4,5,5-TETRAMETHYL-2-(4-((TETRAHYDRO-2H-PYRAN-2-YL)OXY)PHENYL)-1,3,2-DIOXABOROLANE
1-methyl-4-[1-(4-nitrophenyl)piperidin-4-yl]piperazine
Ethyl 3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanoate
N,N-DIETHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PICOLINAMIDE
4-(tert-Butoxycarbonyl)phenylboronic acid pinacol ester
ethyl prop-2-enoate,methyl 2-methylprop-2-enoate,styrene
TERT-BUTYL 4-(4-FORMYLBENZYL)PIPERAZINE-1-CARBOXYLATE
2-n-Propyl-4-methyl-6-(1-methylbenzimidazole-2-yl)benzimidazole
tert-butyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
4,4,5,5-TETRAMETHYL-2-(3-((TETRAHYDRO-2H-PYRAN-2-YL)OXY)PHENYL)-1,3,2-DIOXABOROLANE
3-(tert-Butoxycarbonyl)phenylboronic acid pinacol ester
5-O-(tert-Butyldimethylsilyl)-2,3-O-isoproylidene-D-ribofuranose
Tracazolate
C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
D,L-N,N-Di-tert-butoxycarbonyl-2,3-diaminopropionic acid
2-(dimethylamino)-N-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetamide
TERT-BUTYL 4-(3-FORMYLBENZYL)PIPERAZINE-1-CARBOXYLATE
4-hydroxy-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
2α-Hydroxy Testosterone
An androstanoid that is testosterone substituted by a alpha-hydroxy group at position 2. A natural product found in Daphnia magna exposed to the biocide tributyltin.
N-Cyclopropyl-2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
2,2-(2,4,8,10-TETRAOXASPIRO[5.5]UNDECANE-3,9-DIYL)BIS(2-METHYLPROPAN-1-OL)
1,2-Benzenedicarboxylic acid, dipentyl ester, branched and linear
ETHYL 3-(TERT-BUTYL)-1-(4-FLUOROBENZYL)-1H-PYRAZOLE-5-CARBOXYLATE
5-Methyl-6-(morpholin-4-yl)pyridine-3-boronic acid pinacol ester
1-Propyl-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea
1-propan-2-yl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
2-[[2-[bis[carboxy(dideuterio)methyl]amino]-1,1,2,2-tetradeuterioethyl]-[carboxy(dideuterio)methyl]amino]-2,2-dideuterioacetic acid
Methylatropine
A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03B - Belladonna and derivatives, plain > A03BB - Belladonna alkaloids, semisynthetic, quaternary ammonium compounds D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics
16beta-Hydroxytestosterone
An androstanoid that is testosterone substituted by a beta-hydroxy group at position 16. A natural product found in Daphnia magna exposed to the biocide tributyltin.
9-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]nonanoic acid
(8R)-8-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]nonanoic acid
4beta,5-Epoxy-17beta-hydroxy-5beta-androstan-3-one
5-Amino-1-tert-butyl-3-(1-naphthylmethyl)-4-cyanopyrazole
Platensic Acid Methyl Ester
A polycyclic cage that is the methyl ester derivative of platensic acid. It is isolated from Streptomyces platensis.
(3-endo)-3-[(2S)-3-Hydroxy-1-oxo-2-phenylpropoxy]-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane
Hexanedioic acid, 3-methyl-, bis(trimethylsilyl) ester
6-Methyl-9-(2-(2-methyl-5-pyridyl)ethyl)-1,2,3,4-tetrahydrocarbazole
6-[2-(3-Methoxybiphenyl-3-Yl)ethyl]pyridin-2-Amine
2-Acetylamino-4-methyl-pentanoic acid (1-formyl-2-phenyl-ethyl)-amide
Estetrol
A 3-hydroxy steroid that is 17beta-estradiol which has been substituted at the 15alpha and 16alpha positions by two additional hydroxy groups. It is a natural estrogen produced exclusively during pregnancy by the fetal liver. C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Estetrol, a natural estrogen synthesized exclusively during pregnancy by the human fetal liver, is a selective nuclear estrogen receptor modulator. Estetrol exerts estrogenic actions on the endometrium or the central nervous system but presents antagonistic effects on the breast[1][2].
8-Shogaol
Constituent of ginger (Zingiber officinale) [DFC]. 1-(3,4-Dimethoxyphenyl)-4-decen-3-one is found in ginger. [8]-Shogaol, one of the pungent phenolic compounds in ginger, exhibits anti-platelet activity (IC50=5 μM) and inhibits COX-2 (IC50=17.5 μM). [8]-Shogaol induces apoptosis in human leukemia cells[1][2][3][4]. [8]-Shogaol, one of the pungent phenolic compounds in ginger, exhibits anti-platelet activity (IC50=5 μM) and inhibits COX-2 (IC50=17.5 μM). [8]-Shogaol induces apoptosis in human leukemia cells[1][2][3][4].
6 β hydroxy testosterone
Testosterone is reported to have an acute vasodilating action in vitro, an effect that may impart a favourable haemodynamic response in patients with chronic heart failure. [HMDB]
19-Hydroxytestosterone
A 3-oxo Delta(4)-steroid that is testosterone which is substituted by a hydroxy group at positions 19. 19-Hydroxytestosterone is an intermediate in Androgen and estrogen metabolism. 19-Hydroxytestosterone is the 4th to last step in the synthesis of 16-Glucuronide-estriol. It is generated from Testosterone via the enzyme cytochrome P450 (EC 1.14.14.1) and then converted to 19-Oxotestosterone. [HMDB]. 19-Hydroxytestosterone is found in many foods, some of which are hedge mustard, tinda, black walnut, and babassu palm.
2β-Hydroxy Testosterone
An androstanoid that is testosterone carrying an additional hydroxy substituent at the 2beta-position. 2beta-Hydroxytestosterone is a Testosterone derivative metabolite. Testosterone is reported to have an acute vasodilating action in vitro, an effect that may impart a favourable haemodynamic response in patients with chronic heart failure. [HMDB]
3-(11,11-Dimethyl-8-methylene-4-oxo-5-bicyclo[7.2.0]undecanyl)oxolane-2,5-dione
5,9-Dimethyl-14-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
Cocaine(1+)
The conjugate base of cocaine arising from protonation of the tertiary amino group; major species at pH 7.3.
Monacolin L
A polyketide that is 1-ethyl-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalene in which one of the methyl hydrogens from the ethyl group is replaced by a 4-hydroxy-6-ketopyran-2-yl group.
(6aR,9S,10R,10aR)-10-isocyano-6,6,9-trimethyl-9-vinyl-2,6,6a,7,8,9,10,10a-octahydronaphtho[1,2,3-cd]indole
2-azaniumyl-4-[6-(3-methylbut-2-enylimino)-7H-purin-3-yl]butanoate
2-[(1E,3E)-7-Oxo-3-methyl-1,3-octadienyl]-4-oxo-1,3-dimethyl-2-cyclohexene-1-carboxylic acid
(8R,10S,13S,17S)-17-hydroxy-10-(hydroxymethyl)-13-methyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
(8R,9S,10S,13S,14S,17S)-17-Hydroxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2,3-dione
[(2R)-3-carboxy-2-[(3S)-5-carboxy-3-methylpentanoyl]oxypropyl]-trimethylazanium
[3-Carboxy-1-(6-carboxyhexanoyloxy)propyl]-trimethylazanium
[(2R)-3-carboxy-2-(6-carboxyhexanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(4-carboxy-4-methylpentanoyl)oxypropyl]-trimethylazanium
[3-Carboxy-2-(4-carboxyhexanoyloxy)propyl]-trimethylazanium
15-Hydroxytestosterone
An androstanoid that is testosterone substituted by a alpha-hydroxy group at position 15. A natural product found in Daphnia magna exposed to the biocide tributyltin.
Indolo(2,3:3,4)pyrido(1,2-b)(2,7)naphthyridinium, 5,7,8,13,13b,14-hexahydro-5,6-dimethyl-, (5S,6R,13bS)-
(e)-2-(Hept-1-enyl)-3-(hydroxymethyl)-5-(3-methylbut-2-enyl)benzene-1,4-diol
A natural product found in Eurotium repens.
(R)-7-butyl-6,8-dihydroxy-3-[(3E)-pent-3-en-1-yl]-3,4-dihydroisochromen-1-one
An isochromane that is 3,4-dihydroisocoumarin with a butyl substituent at position 7, hydroxy substituents at positions 6 and 8 and a 3E-pent-3-en-1-yl group at position 3. It is isolated from an endophytic fungus, Geotrichum.
15-norlabda-8(20),12E-diene-14-carboxaldehyde-19-oic acid
A natural product found in Metasequoia glyptostroboides.
2-[4-(1,4-Dithiepan-6-yl)-1-propan-2-yl-2-piperazinyl]ethanol
(2S)-2-azaniumyl-4-{6-[(3-methylbut-2-en-1-yl)amino]-3H-purin-3-yl}butanoate
7-butyl-6,8-dihydroxy-3-[(E)-pent-3-enyl]-3,4-dihydroisochromen-1-one
(1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 4-hydroxy-3-methoxybenzoate
13-Hydroxyplatencinic acid methyl ester
A polycyclic cage with a 3-methoxy-3-oxopropyl side chain. It is isolated from Streptomyces platensis.
(2S)-2-amino-4-{6-[(3-methylbut-2-en-1-yl)amino]-3H-purin-3-yl}butanoic acid
3-hydroxy-2-phenylpropanoic acid [(5S)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester
(2S)-3-methyl-2-[[oxo-(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]amino]pentanoic acid
12-Hydroxyplatencinic Acid Methyl Ester
A natural product found in Streptomyces platensis.
16-alpha-Methyl-16-beta-hydroxy-19-nortestosterone
8-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-oxooctanoic acid
(7R)-7-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-oxooctanoic acid
4-Ethenyl-3-isocyano-4,8,8-trimethyl-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),9(16),10,12-tetraene
Scopolamine(1+)
The ammonium ion resulting from the protonation of the amino group of scopolamine.
3-(3-ethenyl-2-isocyano-3-methyl-6-prop-1-en-2-ylcyclohexyl)-1H-indole
[(1S)-3-carboxy-1-(6-carboxyhexanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(6-carboxyhexanoyloxy)propyl]-trimethylazanium
4-Methoxy-6-pentyl-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-7-carboxylic acid
16alpha-Hydroxydehydroepiandrosterone
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
11beta-Hydroxytestosterone
An androstanoid that is testosterone carrying an additional hydroxy substituent at the 11beta-position.
7alpha-Hydroxydehydroepiandrosterone
An androstanoid that is dehydroepiandrosterone carrying an additional hydroxy substituent at the 7alpha-position. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
3-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-hydroxy-5-methoxybenzoic acid
2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-hydroxy-6-methoxy-3-methylcyclohexa-2,5-diene-1,4-dione
DPCPX
D018377 - Neurotransmitter Agents > D058905 - Purinergic Agents > D058914 - Purinergic Antagonists DPCPX (PD 116948), a xanthine derivative, is a highly potent and selective Adenosine A1 receptor antagonist, with a Ki of 0.46 nM in 3H-CHA binding to A1 receptors in rat whole brain membranes[1][2][3].
11-Oxo etiocholanolone
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
7beta-Hydroxydehydroepiandrosterone
An androstanoid that is dehydroepiandrosterone carrying an additional hydroxy substituent at the 7beta-position. It is a metabolite of dehydroepiandrosterone.
tschimganine
A benzoate ester resulting from the formal condensation of the carboxy group of vanillic acid with the hydroxy group of (-)-borneol. A metabolite isolated from Ferula dissecta.
3beta,6alpha-dihydroxy-5alpha-androst-9(11)-en-17-one
3-geranyl-3-[(Z)-2-isocyanovinyl]-3H-indole
A member of the class of indoles in which the hydrogens at position 3 of 3H-indole have been replaced by 2-isocyanovinyl and geranyl groups.
19-oxo-5alpha-dihydrotestosterone
An androstanoid that is 5alpha-dihydrotestosterone carrying an additional oxo susbstituent at position 19.
7alpha -hydroxytestosterone
An androstanoid that is testosterone substituted by a alpha-hydroxy group at position 7. A natural product found in Daphnia magna exposed to the biocide tributyltin
discadenine zwitterion
Zwitterionic form of discadenine having an anionic carboxy group and a protonated amino group.
(1s,4as,9r,10ar)-1-hydroperoxy-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-9-ol
(1s,4r,5r,9r,10s,13s,14r)-14-hydroxy-5,14-dimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadec-11-ene-5-carboxylic acid
4-[(3,7-dimethylocta-2,6-dien-1-yl)oxy]-2-hydroxy-6-methylbenzoic acid
methyl 1,4a-dimethyl-6-methylidene-5-(3-oxobut-1-en-1-yl)-hexahydro-2h-naphthalene-1-carboxylate
{2,6,8-trimethyl-9-oxotricyclo[6.3.0.0¹,⁵]undec-10-en-6-yl}methyl 2-methylpropanoate
(1r,2s,4ar,8ar)-7-acetyl-1,8a-dimethyl-6-oxo-1,2,3,4,4a,5-hexahydronaphthalen-2-yl 2-methylprop-2-enoate
(1s,5s,8r,9s,11s,12s)-12-hydroxy-5,9,12-trimethyl-11-(2-methylprop-1-en-1-yl)-2-oxatricyclo[6.4.1.0⁴,¹³]tridec-4(13)-en-3-one
1-{5-acetyl-2-hydroxy-3-[(1s)-1-hydroxy-3-methylbut-2-en-1-yl]phenyl}-3-methylbutan-1-one
(4e,6r,7r,11s)-6,7-dihydroxy-4,15,15-trimethyl-8-methylidenebicyclo[9.3.1]pentadeca-1(14),4-dien-2-one
12-(2-hydroxypropan-2-yl)-9-methyl-5-propyl-8-oxatricyclo[7.3.1.0²,⁷]trideca-2,4,6-trien-3-ol
(1s,5s,6s,9r,11s,13r)-6-acetyl-11-ethenyl-6,11,13-trimethyl-2-oxatricyclo[7.3.1.0⁵,¹³]tridecan-3-one
3-hydroxy-5-[3-(hydroxymethyl)-1,1,3,5-tetramethyl-2h-inden-4-yl]oxolan-2-one
(4e,13e,19e)-docosa-4,13,19-trien-2,9,11,21-tetrayn-1-ol
4-[2-(7-hydroxy-1,2,4a-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl)ethyl]-5h-furan-2-one
(5as,9r,9ar,10ar)-4,9a-dimethyl-6-methylidene-1-oxo-3h,5h,5ah,7h,8h,9h,10h,10ah-cyclohexa[g]isochromen-9-yl acetate
(4bs,7s,8ar)-7-hydroxy-2-methoxy-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthrene-1,4-dione
(6as,9s,10r,10as)-9-ethenyl-10-isocyano-6,6,9-trimethyl-5h,6ah,7h,8h,10h,10ah-indeno[2,1-b]indole
(1s,2r,3s,4s)-1-ethenyl-3-(1h-indol-3-yl)-2-isocyano-1-methyl-4-(prop-1-en-2-yl)cyclohexane
(3as,5s,11ar)-6,10-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-5-yl propanoate
methyl (2s,3's,6'r)-3'-hydroxy-2',2',6'-trimethyl-3h-spiro[1-benzofuran-2,1'-cyclohexane]-5-carboxylate
7-ethenyl-2,4b,10-trihydroxy-1,1-dimethyl-3,4,4a,5,6,7-hexahydro-2h-phenanthren-9-one
(4r,4as,10as)-4,8-dihydroxy-7-methoxy-1,1,4a-trimethyl-3,4,10,10a-tetrahydro-2h-phenanthren-9-one
(4s,4ar,5s,8ar)-4a,5-dimethyl-9-oxo-4h,5h,6h,7h,8h,8ah-naphtho[2,3-b]furan-4-yl 2-methylpropanoate
4,8-dihydroxy-7-methoxy-1,1,4a-trimethyl-3,4,10,10a-tetrahydro-2h-phenanthren-9-one
(2z)-n-[(2s)-1-carbamimidoylpyrrolidin-2-yl]-3-(3-hydroxy-4-methoxyphenyl)prop-2-enimidic acid
18-hydroxy-13-methoxy-8,12-podocarpadiene-11,14-dione
{"Ingredient_id": "HBIN002131","Ingredient_name": "18-hydroxy-13-methoxy-8,12-podocarpadiene-11,14-dione","Alias": "NA","Ingredient_formula": "C18H24O4","Ingredient_Smile": "CC1(CCCC2(C1CCC3=C2C(=O)C=C(C3=O)OC)C)CO","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10455","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3,3'-bis(indolylmethyl)dimethylammonium
{"Ingredient_id": "HBIN007159","Ingredient_name": "3,3'-bis(indolylmethyl)dimethylammonium","Alias": "NA","Ingredient_formula": "C20H22N3(+)","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8362","PubChem_id": "NA","DrugBank_id": "NA"}
3β,14-dihydroxy-13-methoxy-8,11,13-podo-carpatrien-7-one
{"Ingredient_id": "HBIN008016","Ingredient_name": "3\u03b2,14-dihydroxy-13-methoxy-8,11,13-podo-carpatrien-7-one","Alias": "NA","Ingredient_formula": "C18H24O4","Ingredient_Smile": "CC1(C(CCC2(C1CC(=O)C3=C2C=CC(=C3O)OC)C)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5999","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3β-hydroxy-13-methoxy-8,12-podocarpadiene-11,14-dione
{"Ingredient_id": "HBIN008220","Ingredient_name": "3\u03b2-hydroxy-13-methoxy-8,12-podocarpadiene-11,14-dione","Alias": "NA","Ingredient_formula": "C18H24O4","Ingredient_Smile": "CC1(C2CCC3=C(C2(CCC1O)C)C(=O)C=C(C3=O)OC)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10454","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
