Exact Mass: 304.1634
Exact Mass Matches: 304.1634
Found 500 metabolites which its exact mass value is equals to given mass value 304.1634
,
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].
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
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].
7-Hydroxy-5-methoxy-4-methyl-3-(4-methylpiperazin-1-yl)-2H-chromen-2-one
Tert-butyl 4-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carboxylate
2-[(2-Amino-2-oxoethyl)-[(2S)-2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]propyl]amino]acetic acid
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].
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].
Tomaymycin
A pyrrolobenzodiazepine that is (11aS)-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine which is substituted at positions 2,5,7,8 and 11R by ethylidene, oxo, methoxy, hydroxy and methoxy groups, respectively. It is a natural product of Streptomyces achromogenes that binds covalently with guanine in the minor groove of DNA. It is an antitumoral compound which is active in ovarian, plasmacytoma, and leukemia cancer cell lines at nanomolar concentrations. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D000970 - Antineoplastic Agents
[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
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
3-[5-(3-Aethyl-4-methyl-5-oxo-4,5-dihydro-pyrrol-2-ylmethylen)-4-methyl-2-oxo-2,5-dihydro-pyrrol-3-yl]-propionsaeure|3-[5-(3-ethyl-4-methyl-5-oxo-4,5-dihydro-pyrrol-2-ylmethylene)-4-methyl-2-oxo-2,5-dihydro-pyrrol-3-yl]-propionic acid
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
3-[5-(4-Aethyl-3-methyl-5-oxo-4,5-dihydro-pyrrol-2-ylmethylen)-4-methyl-2-oxo-2,5-dihydro-pyrrol-3-yl]-propionsaeure|3-[5-(4-ethyl-3-methyl-5-oxo-4,5-dihydro-pyrrol-2-ylmethylene)-4-methyl-2-oxo-2,5-dihydro-pyrrol-3-yl]-propionic acid
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
2-Methylene-5-(2,5-Dioxotetrahydrofuran-3-Yl)-6-Oxo--10,10-Dimethylbicyclo[7: 2: 0]Undecane_major
Ala Ala Gly Ser
Ala Ala Ser Gly
Ala Gly Ala Ser
Ala Gly Gly Thr
Ala Gly Ser Ala
Ala Ser Ala Gly
Ala Ser Gly Ala
Gly Ala Ala Ser
Gly Ala Gly Thr
Gly Ala Ser Ala
Gly Gly Ala Thr
Gly Gly Thr Ala
Gly Ser Ala Ala
Gly Thr Gly Ala
Ser Ala Ala Gly
Ser Ala Gly Ala
Ser Gly Ala Ala
Thr Gly Gly Ala
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.
4,4,5,5-tetramethyl-2-[4-(2-phenylethynyl)phenyl]-1,3,2-dioxaborolane
1-[6-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]ethanone
2-(2-N-BOC-N-METHYL-AMINOETHYL)-1H-ISOINDOLE-1,3(2H)-DIONE
4-(4-HYDROXYMETHYL-OXAZOL-2-YL)-BENZYL]-CARBAMICACIDTERT-BUTYLESTER
2-ethanediyl), .alpha.-[4-(phenylmethyl)[1,1-biphenyl]-4-yl]-.omega.-hydroxy-Poly(oxy-1
2-ETHYLHEXYL α-CYANO-4-(3-METHYLOXAZOLIN-2-YLIDENE)CROTONATE
2-((PROPIONYLOXY)METHOXY)BUTANE-1,4-DIYL DIPROPIONATE
ISOPROPYL 3-METHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOATE
methyl 4-(3-piperidin-1-ylpropylcarbamoyl)benzoate
tert-butyl N-[2-amino-2-[2-(trifluoromethyl)phenyl]ethyl]carbamate
(R)-tert-Butyl 4-benzyl-2-formylpiperazine-1-carboxylate
N,N-(2,5-Dimethyl-1,4-phenylene)bis(3-oxobutyramide)
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
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)
ETHYL 4-HYDROXY-1-ISOPENTYL-2-OXO-1,2-DIHYDRO-1,8-NAPHTHYRIDINE-3-CARBOXYLATE
ETHYL 2-((TERT-BUTOXYCARBONYL)AMINO)-1H-INDOLE-3-CARBOXYLATE
4,4,5,5-TETRAMETHYL-2-(4-((TETRAHYDRO-2H-PYRAN-2-YL)OXY)PHENYL)-1,3,2-DIOXABOROLANE
tert-butyl N-[2-amino-2-[4-(trifluoromethyl)phenyl]ethyl]carbamate
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
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
TERT-BUTYL 1-OXO-1H-SPIRO[FURO[3,4-C]PYRIDINE-3,4-PIPERIDINE]-1-CARBOXYLATE
2-n-Propyl-4-methyl-6-(1-methylbenzimidazole-2-yl)benzimidazole
2-Allyl-1-(tert-butoxycarbonyl)-2,3-dihydro-1H-benzo[d]imidazole-2-carboxylic acid
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
D,L-N,N-Di-tert-butoxycarbonyl-2,3-diaminopropionic acid
Ethyl (2S,5R)-6-(benzyloxy)-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxylate
TERT-BUTYL 4-(3-FORMYLBENZYL)PIPERAZINE-1-CARBOXYLATE
1-{1-[(Benzyloxy)carbonyl]-3-pyrrolidinyl}-3-azetidinecarboxylic acid
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
3-(2-BENZYLCARBAMOYL-ETHYL)-6-OXO-PIPERIDINE-3-CARBOXYLIC ACID
N-(2,6-DIETHYLPHENYLCARBAMOYLMETHYL)IMINODIACETIC ANHYDRIDE
2-[[2-[bis[carboxy(dideuterio)methyl]amino]-1,1,2,2-tetradeuterioethyl]-[carboxy(dideuterio)methyl]amino]-2,2-dideuterioacetic acid
2-[(2-Amino-2-oxoethyl)-[2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]propyl]amino]acetic acid
9-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]nonanoic acid
(8R)-8-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]nonanoic acid
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.
Hexanedioic acid, 3-methyl-, bis(trimethylsilyl) ester
1-(1-Methylethyl)-3-Quinolin-6-Yl-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
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].
3-(11,11-Dimethyl-8-methylene-4-oxo-5-bicyclo[7.2.0]undecanyl)oxolane-2,5-dione
Cocaine(1+)
The conjugate base of cocaine arising from protonation of the tertiary amino group; major species at pH 7.3.
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
[(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-[(E)-4-carboxy-2-hydroxy-3-methylbut-3-enoyl]oxypropyl]-trimethylazanium
[3-Carboxy-2-(4-carboxyhexanoyloxy)propyl]-trimethylazanium
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)-
(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.
2,4-Bis(aziridin-1-yl)-6-(1-phenylpyrrol-2-yl)-1,3,5-triazine
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
4-(3,5-Dimethyl-1-pyrazolyl)-6-methyl-1-phenylpyrazolo[3,4-d]pyrimidine
(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.
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
6-De(cyclopropylamino)-6-(3-fluoroazetidin-1-yl)abacavir
Scopolamine(1+)
The ammonium ion resulting from the protonation of the amino group of scopolamine.
[4-Methoxy-2-[2-[5-methoxy-2-(oxidoazaniumyl)phenyl]ethyl]phenyl]-oxidoazanium
[(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
Benzyl-(2-chloroethyl)-(1-phenoxypropan-2-yl)azanium
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].
(6R,6aS,8Z)-8-ethylidene-3-hydroxy-2,6-dimethoxy-6,6a,7,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-11-one
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D000970 - Antineoplastic Agents
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.
D-Nopaline
An amino acid opine resulting from the formal reductive condensation of the amino group of L-arginine with the keto group of 2-oxopentanedioic acid.
discadenine zwitterion
Zwitterionic form of discadenine having an anionic carboxy group and a protonated amino group.
4-[(3,7-dimethylocta-2,6-dien-1-yl)oxy]-2-hydroxy-6-methylbenzoic acid
(1r,2s,4ar,8ar)-7-acetyl-1,8a-dimethyl-6-oxo-1,2,3,4,4a,5-hexahydronaphthalen-2-yl 2-methylprop-2-enoate
1-{5-acetyl-2-hydroxy-3-[(1s)-1-hydroxy-3-methylbut-2-en-1-yl]phenyl}-3-methylbutan-1-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
(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
(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"}