Exact Mass: 370.1905852

Calanolide

Calanolide A

D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents

NCIOpen2_007383

3,17beta-Dihydroxyestra-1,3,5(10)-trien-6-one diacetate

6-linalyl-2-O,3-dimethylflaviolin

A hydroxy-1,4-naphthoquinone that is 2-O-methylflaviolin in which the hydrogens at positions 3 and 6 are replaced by methyl and linalyl groups respectively.

7-O-Geranyl-2-O,3-dimethylflaviolin

A hydroxy-1,4-naphthoquinone that is 3-methylflaviolin in which the hydroxyl hydrogens at positions 2 and 7 are replaced by methyl and geranyl groups respectively.

Lonicerin

Lonicerine

(3S,7E,9S)-9-Hydroxy-4,7-megastigmadien-3-one 9-glucoside

3,5,5-trimethyl-4-[(1E)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-1-en-1-yl]cyclohex-2-en-1-one

(3S,7E,9S)-9-Hydroxy-4,7-megastigmadien-3-one 9-glucoside is found in fruits. (3S,7E,9S)-9-Hydroxy-4,7-megastigmadien-3-one 9-glucoside is a constituent of raspberry (Rubus idaeus) and leaves of sage (Salvia officinalis). Isolated from raspberry (Rubus idaeus) and the leaves of Dalmatian sage (Salvia officinalis). 3-Oxo-alpha-ionol 9-glucoside is found in herbs and spices, fruits, and red raspberry.

Licarin C

7-methoxy-3-methyl-5-[(1Z)-prop-1-en-1-yl]-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran

Licarin C is found in herbs and spices. Licarin C is isolated from nutmeg. Isolated from nutmeg. Licarin C is found in herbs and spices.

Androsterone sulfate

[(1S,2S,5R,7S,10R,11S,15S)-2,15-dimethyl-14-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-yl]oxidanesulfonic acid

Androsterone sulfate (Andros-S) is the most abundant 5-alpha-reduced androgen metabolite in serum (PMID: 8380602). Androsterone sulfate is clinically recognized as one of the major androgen metabolites found in urine. It is a cognate substrate for human dehydroepiandrosterone sulfotransferase, which catalyzes the transfer of the sulfonate group from 3-phosphoadenosine-5-phosphosulfate to dehydroepiandrosterone (DHEA) (PMID: 14573603). Androsterone sulfate has been identified in the human placenta (PMID: 32033212). Serum dehydroepiandrosterone-sulfate is a classic marker for adrenarche and, subsequently, for the individual hormonal milieu. (PMID 10599744) Dehydroepiandrosterone sulfate is an endogenously produced sex steroid that has been hypothesized to have anti aging effects. (PMID 16960027) It also has been inversely associated with development of atherosclerosis. (PMID 8956025) [HMDB] D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones

Kanzonol R

3-[2-hydroxy-4-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]-5-methoxy-3,4-dihydro-2H-1-benzopyran-7-ol

Kanzonol R is found in herbs and spices. Kanzonol R is a constituent of Glycyrrhiza glabra (licorice). Constituent of Glycyrrhiza glabra (licorice). Kanzonol R is found in tea and herbs and spices.

5-Megastigmen-7-yne-3,9-diol 9-glucoside

2-{[4-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)but-3-yn-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

5-Megastigmen-7-yne-3,9-diol 9-glucoside is found in alcoholic beverages. 5-Megastigmen-7-yne-3,9-diol 9-glucoside is a constituent of Riesling wine and Rose petals. Constituent of Riesling wine and Rose petals. 5-Megastigmen-7-yne-3,9-diol 9-glucoside is found in alcoholic beverages.

5a-Dihydrotestosterone sulfate

[(1S,2S,7S,10R,11S,14S,15S)-2,15-dimethyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]oxidanesulfonic acid

5a-Dihydrotestosterone sulfate is a sulfate derivative of 5a-Dihydrotestosterone produced through phase II metabolism. 5a-dihydrotestosterone (DHT) is a steroid similar to testosterone and androstenedione, that belongs to a class called androgens. DHT is a C19 steroid and possesses androgenic activity. Androgen production takes place mainly in the Leydig cells of the testes. Androgens circulate in the blood bound to proteins, especially sex hormone binding globulin (SHBG) and albumin. A trace amount of these steroids circulate in the unbound form in the blood and are referred to as the free fractions. DHT has at least three times the binding affinity for SHBG than testosterone. About 70\\% of DHT is derived from peripheral conversion of testosterone in males, while most of the DHT is derived from androstenedione in females. (http://www.biosupply.co.uk/doc.php?id=2296) [HMDB] 5a-Dihydrotestosterone sulfate is a sulfate derivative of 5a-Dihydrotestosterone produced through phase II metabolism. 5a-dihydrotestosterone (DHT) is a steroid similar to testosterone and androstenedione, that belongs to a class called androgens. DHT is a C19 steroid and possesses androgenic activity. Androgen production takes place mainly in the Leydig cells of the testes. Androgens circulate in the blood bound to proteins, especially sex hormone binding globulin (SHBG) and albumin. A trace amount of these steroids circulate in the unbound form in the blood and are referred to as the free fractions. DHT has at least three times the binding affinity for SHBG than testosterone. About 70\\% of DHT is derived from peripheral conversion of testosterone in males, while most of the DHT is derived from androstenedione in females.

Etiocholanolone sulfate

[(2S,5R,7R,15S)-2,15-dimethyl-14-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-yl]oxidanesulfonic acid

Etiocholanolone sulfate is urinary sulfate metabolite of etiocholanolone which is one of the steroid hormone. A human metabolite taken as a putative food compound of mammalian origin [HMDB]

5-Megastigmen-7-yne-3,9-diol 3-glucoside

2-{[4-(3-hydroxybut-1-yn-1-yl)-3,5,5-trimethylcyclohex-3-en-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C22H27ClN2O (370.18118020000003)

5-Megastigmen-7-yne-3,9-diol 3-glucoside is found in alcoholic beverages. 5-Megastigmen-7-yne-3,9-diol 3-glucoside is a constituent of Riesling wine. Constituent of Riesling wine. 5-Megastigmen-7-yne-3,9-diol 3-glucoside is found in alcoholic beverages.

Lorcainide

N-(4-chlorophenyl)-2-phenyl-N-[1-(propan-2-yl)piperidin-4-yl]acetamide

Cardiac dysrhythmia is a heart rate disorder that manifests as an altered cardiac rhythm. It results from either abnormal pacemaker activity or a disturbance in impulse propagation, or both. Arrhythmias can be caused by various conditions including ischemia, hypoxia, pH disruptions, B adrenergic activation, drug interactions or the presence of diseased tissue. These events can trigger the development of ectopic pacemaker in the heart, which emit abnormal impulses at random times during the cardiac cycle. An arrhythmia can present itself as either bradycardia or tachycardia. Untreated arrhythmias may progress to atrial fibrillation or ventricular fibrillation. Treatment is aimed at normalizing cardiac rhythm by altering ion flow across the membrane. Antiarrhythmic agents can reduce arrhythmia related symptoms such as palpitations or syncope; however, they often have a narrow therapeutic index and can also be proarrhythmic. Lorcainide (Lorcainide hydrochloride) is a Class 1c antiarrhythmic agent that is used to help restore normal heart rhythm and conduction in patients with premature ventricular contractions, ventricular tachycardiac and Wolff-Parkinson-White syndrome. Lorcainide was developed by Janssen Pharmaceutica (Belgium) in 1968 under the commercial name Remivox and is designated by code numbers R-15889 or Ro 13-1042/001. It has a half-life of 8.9 +- 2.3 hrs which may be prolonged to 66 hrs in people with cardiac disease. Wolff-Parkinson-White syndrome (WPW) is a pre-excitation syndrome in which individuals are predisposed to supraventricular tachyarrhythmias (rapid and irregular heart beats). People with this condition have an extra or accessory atrioventricular conduction pathway that causes re-entry tachycardia. WPW is characterized by a short PR interval (<0.12 second) and a prolonged, slurred QRS complex (>0.12 seconds). C - Cardiovascular system > C01 - Cardiac therapy > C01B - Antiarrhythmics, class i and iii > C01BC - Antiarrhythmics, class ic C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents

Epiandrosterone sulfate

[(1S,2S,5S,7S,10R,11S,15S)-2,15-dimethyl-14-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-5-yl]oxidanesulfonic acid

Epiandrosterone sulfate, also known as (3beta,5alpha)-17-oxoandrostan-3-yl hydrogen sulfate or epiandrosterone sulphuric acid, is a member of the class of compounds known as sulfated steroids. Sulfated steroids are sterol lipids containing a sulfate group attached to the steroid skeleton. Epiandrosterone sulfate is practically insoluble (in water) and an extremely strong acidic compound (based on its pKa). Epiandrosterone sulfate can be synthesized from 5alpha-androstane and synthesized into epiandrosterone. Epiandrosterone sulfate can be found in blood and feces. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones

4-Androsten-3beta,17beta-diol 3-sulfate

[(1S,2R,5S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-yl]oxidanesulfonic acid

4-Androsten-3beta,17beta-diol 3-sulfate, also known as androstenediol 3-sulfate, is classified as a member of the sulfated steroids. Sulfated steroids are sterol lipids containing a sulfate group attached to the steroid skeleton. 4-Androsten-3beta,17beta-diol monosulfate was found to be significantly (Bonferroni) associated with rheumatoid arthritis (PMID: 28831053).

4-Androsten-3beta,17beta-diol 17-sulfate

[(1S,2R,5S,10R,11S,14S,15S)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-14-yl]oxidanesulfonic acid

C19H30O5S (370.181385)

4-Androsten-3beta,17beta-diol 17-sulfate, also known as androstenediol 17-sulfate, is classified as a member of the sulfated steroids. Sulfated steroids are sterol lipids containing a sulfate group attached to the steroid skeleton. 4-Androsten-3beta,17beta-diol monosulfate was found to be significantly (Bonferroni) associated with rheumatoid arthritis (PMID: 28831053).

11-Hydroxyyohimbine

methyl 6,18-dihydroxy-3,13-diazapentacyclo[11.8.0.0^{2,10}.0^{4,9}.0^{15,20}]henicosa-2(10),4(9),5,7-tetraene-19-carboxylate

2,7-Di-tert-butyl-9-fluorenylmethyl chloroformate

(2,7-di-tert-butyl-9H-fluoren-9-yl)methyl chloroformate

C23H27ClO2 (370.1699472)

Androstenediol 3-sulfate

{14-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-yl}oxidanesulfonic acid

Calanolide A

12-hydroxy-6,6,10,11-tetramethyl-4-propyl-6,10,11,12-tetrahydro-2H-1,5,9-trioxatriphenylen-2-one

N-Desethyl Sunitinib

N-[2-(ethylamino)ethyl]-5-[(5-fluoro-2-hydroxy-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboximidic acid

Ocfentanil

N-(2-fluorophenyl)-2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide

C22H27FN2O2 (370.2056454)

C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist

Samidorphan

17-(cyclopropylmethyl)-3,10-dihydroxy-13-oxo-17-azatetracyclo[7.5.3.0^{1,10}.0^{2,7}]heptadeca-2(7),3,5-triene-4-carboxamide

[(3S,8R,9S,10S,13S,14S)-10,13-Dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulfate

12-Methoxyechitamidine

(-)-12-Methoxyechitamidine

4-[10-Hydroxygeranyloxy]-5-methylcoumarin acetate

18-Hydroxycoronaridine

20R,21-Dihydroxycoronaridine

(19S)-Hydroxytacamine

4-[4-Hydroxygeranyloxy]-5-methylcoumarin acetate

Malabaricon-D

Dimethylwulignan A1

Didymic acid

3-Hydroxy-7-methoxy-1-pentyl-9-propyldibenzo[b,d]furan-2-carboxylic acid

(3R)-3,4-Dihydro-3-(3-hydroxy-2,4-dimethoxyphenyl)-8-(3-methyl-2-butenyl)-2H-1-benzopyran-7-ol

Ajmalicidine

Humantenirine

(1S,2S,4S,7Z,8S,9S)-7-Ethylidene-1,6-dimethoxyspiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3-indole]-2-one

Unanisoflavan

3- [ 5- (1,1-Dimethyl-2-propenyl) -3-hydroxy-2,4-dimethoxyphenyl ] -3,4-dihydro-2H-1-benzopyran-7-ol

Furaquinocin C

(+)-19-Hydroxy-20-epi-pandoline

(+)-20R-18,19-dihydroxy-pseudovincadifformine

10-Hydroxyheyneanine

11-Hydroxyheyneanine

beta-Yohimbine N-oxide

O,O-Dimethylmagnoflorine

cis-N-Methyltetrahydropalmatine

N-Methylglaucine

Thiocyanatin D1

C19H34N2OS2 (370.2112434)

11-Hydroxyyohimbine

4-[10-Hydroxyneryloxy]-5-methylcoumarin acetate

Echitaminic acid

Isorhynchophyllic acid

(6R,9S)-3-oxo-alpha-ionol-beta-D-glucopyranoside

(6R,7E,9S)-9-Hydroxymegastigma-4,7-dien-3-one 9-O-beta-D-glucopyranoside

(6R,9R)-3-Oxo-alpha-ionyl-9-O-beta-glucopyranoside

(+)-(6R,9R)-3-Oxo-alpha-ionyl-9-O-beta-glucopyranoside

(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside

Sphaerosin s1

7,3-Dihydroxy-2,4-dimethoxy-8-prenylisoflavan

Nb-Demethylechitamine

N(4)-Demethylechitamine

N(4)-Demethyl-12-methoxyalstogustine

(-)-N(4)-Demethyl-12-methoxyalstogustine

A natural product found in Alstonia spatulata.

-)-N,N-Dimethylpavine

N-Methyltetrahydropalmatine

11-methoxygelsemamide

(+)-11-Methoxygelsemamide

Ocfentanil

C22H27FN2O2 (370.2056454)

C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist

7(S),16(R),19(E)-isositsirikine oxindole

MEGxp0_000644

lespeflorin C4

C22H26O5

Eburnaphylline

5,7-dihydroxy-3,5-dimethoxy-6-prenylflavan

NSC647943

6-hydroxyhumantenine

14-O-n-butyrylfloridanolide

caberoline

11-hydroxyrhazimanine

19-(S)-Hydroxydihydrogelsevirine

N-Demethylechitamine

3-hydroxy-16-hydroxymethyl-22-nor-vobasan-17-oic acid methyl ester|Voacarpin

Wallichinin

(19R)-19,20-epoxy-11-methoxy-1-methyl-(2beta,20alphaH)-1,2,19,20-tetrahydro-akuammilan-17-oic acid|11-methoxy-quaternoxine|Caberin|caberine

8-hydroxycannabinolic acid A

3,4-Dimethoxy-3,4-methylenedioxy-7,9-epoxylignan-9-ol

Isosplendoline

coronaridine hydroxyindolenine|heyneanine hydroxyindolenine

(3E)-4-[(4R)-4-(beta-D-glucopyranosyloxy)-2,6,6-trimethyl-cyclohex-1-enyl]but-3-en-2-one|(3E)-4-[(4R)-4-(beta-D-glucopyranosyloxy)-2,6,6-trimethylcyclohex-1-enyl]but-3-en-2-one|3-hydroxymegastigmasta-5,7-dien-9-one-3-O-beta-D-glucopyranoside|3beta-D-glucopyranosyloxy-beta-ionone

(3E)-4-[(4R)-4-(beta-D-glucopyranosyloxy)-2,6,6-trimethyl-cyclohex-1-enyl]but-3-en-2-one|(3E)-4-[(4R)-4-(beta-D-glucopyranosyloxy)-2,6,6-trimethylcyclohex-1-enyl]but-3-en-2-one|3-hydroxymegastigmasta-5,7-dien-9-one-3-O-beta-D-glucopyranoside|3beta-D-glucopyranosyloxy-beta-ionone

ACMC-20c1ke

Deserpidic acid

Amsosinine

12-acetoxypseudopterolide

(9R)-4-oxo-beta-ionol beta-D-glucopyranoside|4-Oxo-beta-ionol beta-D-glucopyranoside

20-hydroxy-12-methoxy-ibogamine-18-carboxylic acid methyl ester|Voacristin

SCHEMBL18983191

avicennol ethyl ether

ajmalicinine

Alkaloid ND 370

byzantionoside A

NSC686757

C20H26N4O3

austrobailignan

8-hydroxy-5-methyl-7-(3-methylbut-2-enyl)-9-(2-methyl-1-oxobutyl)-4,5-dihydropyrano[4,3,2-de]chromen-2-one

7-geranyloxy-5-hydroxy-2-methoxy-6-methyl-1,4-naphthoquinone|flaviogeranin

4-oxo-beta-ionol-beta-D-glucopyranoside

cytospolide H

pseudozoanthoxanthin III

wallichinin|wallichinine

3-(2,4-Dimethoxy-5-(1,1-dimethylallyl)phenyl)-3,4-dihydro-2H-1-benzopyran-7,8-diol

(6Z)-[9-O-(beta-D-glucopyranosyl)] butylidene-1,5,5-trimethyl-4-cyclohexen-3-one

10-hydroxyisositsirikine|methyl (2R)-2-[(2R,3E,12bS)-3-ethylidene-1,2,3,4,6,7,12,12b-octahydro-9-hydroxyindolo[2,3-a]quinolizin-2-yl]-3-hydroxypropanoate

1-(hydroxymethyl)-3-(2-hydroxypropan-2-yl)-2-(5-methoxy-9H-beta-carbolin-1-yl)cyclopentanol

5-Hydroxy-8,8-dimethyl-6-(3-methyl-1-oxobutyl)-4-propyl-2H,8H-benzo[1,2-b:3,4-b]dipyran-2-one|5-hydroxy-8,8-dimethyl-6-(3-methyl-butyryl)-4-propyl-8H-pyrano[2,3-f]chromen-2-one

Austrobailignan 4

Yohimbine pseudoindoxyl

CHEMBL2064611

3-(3-Hydroxy-2,4-dimethoxyphenyl)-7-hydroxy-3,4-dihydro-8-(3-methyl-2-butenyl)-2H-1-benzopyran

Melacarpic acid

Licarin C

(2Z,4E)-2-(3,4-dimethoxybenzylidene)-5-(3,4-dimethoxyphenyl)pent-4-en-1-ol|morinol I

Glyasperin I

15-Hydroxyhumantenine

licarin-D

7,3-dihydroxy-5,5-dimethoxy-8-prenylflavan

1-acetyl-19,21-epoxy-aspidospermidine-16,17-diol|Aspidofendlerin, N-Acetyl-16,17-dihydroxy-aspidoalbidin|Aspidofendlerine

kallolide A acetate

C21H26N2O4

17,23-dihydroxyspermostrychnine

Kopsiyunnanine B

negombin I

8-hydroxy-5-methyl-7-(3-methylbut-2-enyl)-9-(3-methyl-1-oxobutyl)-4,5-dihydropyrano[4,3,2-de]chromen-2-one

Lys His Ser

16-phenoxy tetranor Prostaglandin A2

9-oxo-15R-hydroxy-16-phenoxy-17,18,19,20-tetranor-prosta-5Z,10,13E-trien-1-oic acid

His Lys Ser

histidylseryllysine

Ser Lys His

serylhistidyllysine

N-Tetrahydropalmatine

1,2,9,10-tetramethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolinium

18β-Hydroxy-3-epi-α-yohimbine

methyl (1R,15S,17R,18R,19S,20S)-17,18-dihydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate

18-Beta-hydroxy-3-epi-alpha-yohimbine is a natural product found in Rauvolfia serpentina with data available.

GlyasperinD

1,3-BENZENEDIOL, 4-((3R)-3,4-DIHYDRO-5,7-DIMETHOXY-6-(3-METHYL-2-BUTEN-1-YL)-2H-1-BENZOPYRAN-3-YL)-

Glyasperin D is a member of the class of hydroxyisoflavans that is (R)-isoflavan substituted by hydroxy groups at positions 2 and 4, methoxy groups at positions 5 and 7 and a prenyl group at position 6. It has been isolated from Glycyrrhiza uralensis. It has a role as a plant metabolite. It is a member of hydroxyisoflavans, an aromatic ether and a methoxyisoflavan. Glyasperin D is a natural product found in Glycyrrhiza uralensis and Glycyrrhiza aspera with data available. See also: Glycyrrhiza uralensis Root (part of). A member of the class of hydroxyisoflavans that is (R)-isoflavan substituted by hydroxy groups at positions 2 and 4, methoxy groups at positions 5 and 7 and a prenyl group at position 6. It has been isolated from Glycyrrhiza uralensis.

4-hydroxy-7-methoxy-2,3,8-trimethyl-3-(4-methylpent-3-enyl)-2H-benzo[g][1]benzofuran-6,9-dione

NCGC00384938-01!4-hydroxy-7-methoxy-2,3,8-trimethyl-3-(4-methylpent-3-enyl)-2H-benzo[g][1]benzofuran-6,9-dione

C22H26O5_4-[(3R)-5,7-Dimethoxy-6-(3-methyl-2-buten-1-yl)-3,4-dihydro-2H-chromen-3-yl]-1,3-benzenediol

NCGC00247521-02_C22H26O5_4-[(3R)-5,7-Dimethoxy-6-(3-methyl-2-buten-1-yl)-3,4-dihydro-2H-chromen-3-yl]-1,3-benzenediol

2,4-dihydroxy-6-methyl-3-[(2E,4E)-3-methyl-5-[(1R,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]penta-2,4-dienyl]benzaldehyde

Splendoline

Hexose + C13H19O (isomer of 1062)

Annotation level-3

Hexose + C13H19O (isomer of 1061)

Annotation level-3

2,4-dihydroxy-6-methyl-3-[(2E,4E)-3-methyl-5-[(1R,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]penta-2,4-dienyl]benzaldehyde [IIN-based on: CCMSLIB00000846934]

NCGC00347666-02!2,4-dihydroxy-6-methyl-3-[(2E,4E)-3-methyl-5-[(1R,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]penta-2,4-dienyl]benzaldehyde [IIN-based on: CCMSLIB00000846934]

4-hydroxy-7-methoxy-2,3,8-trimethyl-3-(4-methylpent-3-enyl)-2H-benzo[g][1]benzofuran-6,9-dione [IIN-based on: CCMSLIB00000849091]

NCGC00384938-01!4-hydroxy-7-methoxy-2,3,8-trimethyl-3-(4-methylpent-3-enyl)-2H-benzo[g][1]benzofuran-6,9-dione [IIN-based on: CCMSLIB00000849091]

4-hydroxy-7-methoxy-2,3,8-trimethyl-3-(4-methylpent-3-enyl)-2H-benzo[g][1]benzofuran-6,9-dione [IIN-based: Match]

NCGC00384938-01!4-hydroxy-7-methoxy-2,3,8-trimethyl-3-(4-methylpent-3-enyl)-2H-benzo[g][1]benzofuran-6,9-dione [IIN-based: Match]

2,4-dihydroxy-6-methyl-3-[(2E,4E)-3-methyl-5-[(1R,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]penta-2,4-dienyl]benzaldehyde [IIN-based: Match]

NCGC00347666-02!2,4-dihydroxy-6-methyl-3-[(2E,4E)-3-methyl-5-[(1R,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]penta-2,4-dienyl]benzaldehyde [IIN-based: Match]

2,4-dihydroxy-6-methyl-3-[(2E,4E)-3-methyl-5-[(1R,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]penta-2,4-dienyl]benzaldehyde_major

[C22H28NO4]+ (370.20182280000006)

N-Methyltetrahydropalmatine

N-Methylglaucine

[C22H28NO4]+ (370.20182280000006)

Ala Pro Pro Ser

(2S)-2-{[(2S)-1-{[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]carbonyl}pyrrolidin-2-yl]formamido}-3-hydroxypropanoic acid

Ala Pro Ser Pro

(2S)-1-[(2S)-2-{[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]formamido}-3-hydroxypropanoyl]pyrrolidine-2-carboxylic acid

Ala Ser Pro Pro

(2S)-1-{[(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-hydroxypropanoyl]pyrrolidin-2-yl]carbonyl}pyrrolidine-2-carboxylic acid

Gly Pro Pro Thr

(2S,3R)-2-{[(2S)-1-{[(2S)-1-(2-aminoacetyl)pyrrolidin-2-yl]carbonyl}pyrrolidin-2-yl]formamido}-3-hydroxybutanoic acid

Gly Pro Thr Pro

(2S)-1-[(2S,3R)-2-{[(2S)-1-(2-aminoacetyl)pyrrolidin-2-yl]formamido}-3-hydroxybutanoyl]pyrrolidine-2-carboxylic acid

Gly Thr Pro Pro

(2S)-1-{[(2S)-1-[(2S,3R)-2-(2-aminoacetamido)-3-hydroxybutanoyl]pyrrolidin-2-yl]carbonyl}pyrrolidine-2-carboxylic acid

Ser His Lys

Pro Ala Pro Ser

(2S)-3-hydroxy-2-{[(2S)-1-[(2S)-2-[(2S)-pyrrolidin-2-ylformamido]propanoyl]pyrrolidin-2-yl]formamido}propanoic acid

Pro Ala Ser Pro

(2S)-1-[(2S)-3-hydroxy-2-[(2S)-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]propanoyl]pyrrolidine-2-carboxylic acid

Pro Gly Pro Thr

(2S,3R)-3-hydroxy-2-{[(2S)-1-{2-[(2S)-pyrrolidin-2-ylformamido]acetyl}pyrrolidin-2-yl]formamido}butanoic acid

Pro Gly Thr Pro

(2S)-1-[(2S,3R)-3-hydroxy-2-{2-[(2S)-pyrrolidin-2-ylformamido]acetamido}butanoyl]pyrrolidine-2-carboxylic acid

Lys Ser His

Pro Pro Ala Ser

(2S)-3-hydroxy-2-[(2S)-2-{[(2S)-1-{[(2S)-pyrrolidin-2-yl]carbonyl}pyrrolidin-2-yl]formamido}propanamido]propanoic acid

Pro Pro Gly Thr

(2S,3R)-3-hydroxy-2-(2-{[(2S)-1-{[(2S)-pyrrolidin-2-yl]carbonyl}pyrrolidin-2-yl]formamido}acetamido)butanoic acid

Pro Pro Ser Ala

(2S)-2-[(2S)-3-hydroxy-2-{[(2S)-1-{[(2S)-pyrrolidin-2-yl]carbonyl}pyrrolidin-2-yl]formamido}propanamido]propanoic acid

Pro Pro Thr Gly

2-[(2S,3R)-3-hydroxy-2-{[(2S)-1-{[(2S)-pyrrolidin-2-yl]carbonyl}pyrrolidin-2-yl]formamido}butanamido]acetic acid

Pro Ser Ala Pro

(2S)-1-[(2S)-2-[(2S)-3-hydroxy-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]propanoyl]pyrrolidine-2-carboxylic acid

Pro Ser Pro Ala

(2S)-2-{[(2S)-1-[(2S)-3-hydroxy-2-[(2S)-pyrrolidin-2-ylformamido]propanoyl]pyrrolidin-2-yl]formamido}propanoic acid

Pro Thr Gly Pro

(2S)-1-{2-[(2S,3R)-3-hydroxy-2-[(2S)-pyrrolidin-2-ylformamido]butanamido]acetyl}pyrrolidine-2-carboxylic acid

Pro Thr Pro Gly

2-{[(2S)-1-[(2S,3R)-3-hydroxy-2-[(2S)-pyrrolidin-2-ylformamido]butanoyl]pyrrolidin-2-yl]formamido}acetic acid

Ser Ala Pro Pro

(2S)-1-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]propanoyl]pyrrolidin-2-yl]carbonyl}pyrrolidine-2-carboxylic acid

Ramiprilat Diketopiperazine

His Ser Lys

Ser Pro Ala Pro

(2S)-1-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-hydroxypropanoyl]pyrrolidin-2-yl]formamido}propanoyl]pyrrolidine-2-carboxylic acid

Ser Pro Pro Ala

(2S)-2-{[(2S)-1-{[(2S)-1-[(2S)-2-amino-3-hydroxypropanoyl]pyrrolidin-2-yl]carbonyl}pyrrolidin-2-yl]formamido}propanoic acid

Thr Gly Pro Pro

(2S)-1-{[(2S)-1-{2-[(2S,3R)-2-amino-3-hydroxybutanamido]acetyl}pyrrolidin-2-yl]carbonyl}pyrrolidine-2-carboxylic acid

Thr Pro Gly Pro

(2S)-1-(2-{[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidin-2-yl]formamido}acetyl)pyrrolidine-2-carboxylic acid

Thr Pro Pro Gly

2-{[(2S)-1-{[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidin-2-yl]carbonyl}pyrrolidin-2-yl]formamido}acetic acid

18-Hydroxyyohimbine

14β-Hydroxyyohimbine

Androsterone sulfate

D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones A steroid sulfate that is the 3-sulfate of androsterone.

5β-Androstan-3α-ol-17-one sulfate

17β-Hydroxy-5α-androstan-3-one sulfate

3alpha-hydroxy-5alpha-androstan-17-one 3-sulfate

ESTRONE HEMISUCCINATE

17-phenyl trinor-13,14-dihydro Prostaglandin A2

9-oxo-15R-hydroxy-17-phenyl-18,19,20-trinor-prosta-5Z,10-dien-1-oic acid

C20H27NaO5 (370.17560920000005)

sodium chlorovulone II

sodium 4R,12S-dihydroxy-9-oxo-5E,7E,10Z,13Z-prostatetraenoate-cyclo[8,12]

sodium chlorovulone III

sodium 4R,12S-dihydroxy-9-oxo-5E,7Z,10Z,13Z-prostatetraenoate-cyclo[8,12]

C20H27NaO5 (370.17560920000005)

5a-Dihydrotestosterone sulfate

5-Megastigmen-7-yne-3,9-diol 9-glucoside

2-{[4-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)but-3-yn-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

N-Lauryl-N-myristyl-beta-alanine

2-{[4-(3-hydroxybut-1-yn-1-yl)-3,5,5-trimethylcyclohex-3-en-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

(3S,7E,9S)-9-Hydroxy-4,7-megastigmadien-3-one 9-glucoside

3,5,5-trimethyl-4-[(1E)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-1-en-1-yl]cyclohex-2-en-1-one

Kanzonol R

3-[2-hydroxy-4-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]-5-methoxy-3,4-dihydro-2H-1-benzopyran-7-ol

C22H27ClN2O (370.18118020000003)

Lorcainide

N-(4-chlorophenyl)-2-phenyl-N-[1-(propan-2-yl)piperidin-4-yl]acetamide

C - Cardiovascular system > C01 - Cardiac therapy > C01B - Antiarrhythmics, class i and iii > C01BC - Antiarrhythmics, class ic C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents

20:4(5Z,10Z,14Z,17Z)(8OH,9Cl,12OH)

8,12-dihydroxy-9-chloro-5Z,10Z,14Z,17Z-eicosatetraenoic acid

20:4(5Z,9Z,14Z,17Z)(8OH,11Cl,12OH)

8,12-dihydroxy-11-chloro-5Z,9Z,14Z,17Z-eicosatetraenoic acid

Aplidic acid A

(5E,7E)-8-[(3aR,4R,5R,7aS)-4-[(1E,3E)-5-methoxy-5-oxopenta-1,3-dienyl]-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]octa-5,7-dienoic acid

ST 23:5;O4

3beta-hydroxy-8beta,14beta-epoxy-5beta-carda-16,20(22)-dienolide

ST 19:1;O2;S

3alpha-hydroxy-5alpha-androstan-17-one 3-sulfate

DHT-sulfate

5alpha-dihydrotestosterone 17-sulfate

Etiocholanolone sulfate

[(2S,5R,7R,15S)-2,15-dimethyl-14-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-5-yl]oxidanesulfonic acid

Canangalia E

(2E,6E,10R)-11-(3′,4′-dihydroxy-2′-methylenebutoxy)-10-hydroxy-3,7,11-trimethyldodeca -2.6-dienoic acid methyl ester

Canangalia F

(2E,6E,10R)-11-(2,4-dihydroxy-3-methylenebutoxy)-10-hydroxy-3,7,11-trimethyldodeca-2,6-dienoic acid methyl ester

(3-BOC-AMINO-PIPERIDIN-1-YL)-NAPHTHALEN-2-YL-ACETICACID

gestaclone

C23H27ClO2 (370.1699472)

savoxepin

C25H26N2O (370.2045026)

1-[(1-methylethyl)amino]-4-[(4-methylphenyl)amino]anthraquinone

C20H26N4OS (370.18272260000003)

Oxypendyl

C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent

(3aR,4R,5R,6aS)-5-(Benzoyloxy)hexahydro-4-(3-oxo-1-octen-1-yl)-2H-cyclopenta[b]furan-2-one

C18H29BF2O3Si (370.1946977999999)

5-(t-Butyldimethylsiloxy)-2,3-difluorophenylboronic

Urea, N-[2-(1H-benzimidazol-2-yl)ethyl]-N-phenyl-N-(phenylmethyl)- (9CI)

4-[CARBOXY-(2-CHLORO-PHENYL)-METHYL]-PIPERAZINE-1-CARBOXYLICACIDTERT-BUTYLESTERHYDROCHLORIDE

Olomoucine II

2-[[[2-(1-Hydroxybutan-2-ylamino)-9-propan-2-yl-6-purinyl]amino]methyl]phenol

N,N-bis[(1R)-2-hydroxy-1-phenylethyl]-2,2-dimethylpropanediamide

C16H26N4O4S (370.16746760000007)

n,n-dimethyl-p-phenylenediamine sulfate

4-Hydroxyphenyl 4-(decyloxy)benzoate

3,6-BIS[(1,1-DIMETHYLETHYL)-9H-FLUOREN-9-YL]CHLORODIMETHYL-SILANE

C23H31ClSi (370.1883436)

(S)-TERT-BUTYL 3-(4-AMINOPHENYL)-2-(((BENZYLOXY)CARBONYL)AMINO)PROPANOATE

2-(4-boc-piperazinyl)-2-(2-naphthalenyl)acetic acid

Nomegestrol acetate

C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone

TRANS-4-OCTYL-ALPHA-CHLORO-4-ETHOXYSTILBENE

C24H31ClO (370.2063306)

Ciladopa

[5-(hydroxymethyl)-1-tritylimidazol-4-yl]methanol

DI(CYCLOPROPANE-1,2-DICARBOHYDRAZIDE)TRIHYDRATE

C10H26N8O7 (370.1924366)

(3AR,4R,5R,6AS)-2-OXO-4-((E)-3-OXOOCT-1-EN-1-YL)HEXAHYDRO-2H-CYCLOPENTA[B]FURAN-5-YL BENZOATE

ethyl 4-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]anilino]benzoate

6-[(2-hydroxyethyl)amino]-4-methyl-2-[[3-(2-phenoxyethoxy)propyl]amino]nicotinonitrile

Nestoron

Nestorone

C18H30N2O4S (370.19261800000004)

C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents

(S)-ropivacaine

Dicyclopentadienylbisphenol cyanate ester

N-(2-Fluoro-5-methylphenyl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea

C20H24BFN2O3 (370.1863916)

TERT-BUTYL 4-(6-(2-ACETYL-1H-PYRROL-1-YL)PYRIDIN-2-YL)PIPERAZINE-1-CARBOXYLATE

1,3-dimethyl-5-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylidene]-1,3-diazinane-2,4,6-trione

C19H23BN2O5 (370.1699938)

Colpormon

3,16alpha-dihydroxyestra-1,3,5(10)-trien-17-one 3,16-diacetate

D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones

quinine formate

1,1,1,1-Tetramethyl-4,4-(methylene-di-p-phenylene)disemicarbazide

N-Desethyl Sunitinib

1,2,3,4-tetraphenylcyclopentadiene

C29H22 (370.1721412)

Samidorphan

D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids C78272 - Agent Affecting Nervous System > C681 - Opiate Antagonist

Branebrutinib

C21H26N2O2S (370.17148960000003)

C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163774 - BTK-targeting Agent D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors

Mepazine acetate

C78272 - Agent Affecting Nervous System > C66883 - Dopamine Antagonist

Costatolide

D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents

Calanolide F

A natural product found in Calophyllum lanigerum var austrocoriaceum and Calophyllum teysmannii var inophylloide. D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents

7-Cyclopentyl-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-ylamine

Oxazine 750

C24H24N3O+ (370.1919274)

6-Oxoestradiol diacetate

3,17beta-Dihydroxyestra-1,3,5(10)-trien-6-one diacetate

C18H22N6O3 (370.17533019999996)

1-(Phenylmethyl)-4-(4-phenyl-1-piperazinyl)pyrazolo[3,4-d]pyrimidine

C22H22N6 (370.1905852)

4-{[4-Amino-6-(cyclohexylmethoxy)-5-nitrosopyrimidin-2-YL]amino}benzamide

2,4-Diamino-6-[N-(3,4,5-trimethoxybenzyl)-N-methylamino]pyrido[2,3-D]pyrimidine

C18H22N6O3 (370.17533019999996)

[(3S,8R,9S,10S,13S,14S)-10,13-Dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulfate

N-Methyltetrahydropalmatine

5beta-Androstan-3alpha-ol-17-one sulfate

Samidorphan

17-(cyclopropylmethyl)-3,10-dihydroxy-13-oxo-17-azatetracyclo[7.5.3.0^{1,10}.0^{2,7}]heptadeca-2(7),3,5-triene-4-carboxamide

1,4-bis-{[N-(1-imino-1-guanidino-methyl)]sulfanylmethyl}-3,6-dimethyl-benzene

C14H26N8S2+4 (370.1721756)

4-Androsten-3beta,17beta-diol 17-sulfate

Androstenediol 3-sulfate

(6aS)-1,2,9,10-tetramethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium

(-)-8-Epi-aristoligone

A natural product found in Holostylis reniformis.

1-phenyl-4-(9H-xanthen-9-ylcarbonyl)piperazine

6-(9-Purine-6,8-diolyl)-2beta-suberosanone

A natural product found in Subergorgia suberosa.

6-[(2-fluorophenyl)methyl]-5-methyl-N-(3-methylbutyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

Ser-His-Lys

2-[2-fluoro-5-(4-methyl-1-piperazinyl)-4-nitrophenyl]-3,4-dihydro-1H-isoquinoline

5-[1-[4-(Diethylamino)anilino]propylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione

C20H26N4OS (370.18272260000003)

1,2-Dihydroacenaphthylen-5-yl-[1-[(6-methyl-2-pyridinyl)methyl]-3-piperidinyl]methanone

C25H26N2O (370.2045026)

4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(2,6-dimethylphenyl)benzamide

C25H26N2O (370.2045026)

1-cyclohexyl-3-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)thiourea

4-[7-(4-Methylphenyl)-5-phenyl-4-pyrrolo[2,3-d]pyrimidinyl]morpholine

4-[7-(3-Methylphenyl)-5-phenyl-4-pyrrolo[2,3-d]pyrimidinyl]morpholine

1-(4-ethylphenyl)-2-methyl-N-(3-pyridinylmethyl)-5-benzimidazolecarboxamide

(+)-isomalbrancheamide B(1+)

C21H25ClN3O+ (370.168605)

N-(2-ethoxyphenyl)-4-(4-morpholinyl)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-amine

Androstenediol sulfate

(+)-malbrancheamide B

C21H25ClN3O+ (370.168605)

CID 6325869

C20H26N4OS (370.18272260000003)

2-(3-chloro-4-fluorophenoxy)-N-[(3S)-1-(3,3-dimethylbutyl)-3-piperidinyl]acetamide

C19H28ClFN2O2 (370.182323)

Cyclopropyl-[4-(2,7-dimethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-1-piperazinyl]methanone

Resibufagenin

N-[(2R,3R,6S)-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]cyclopropanecarboxamide

N-[(2R,3S,6R)-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]cyclopropanecarboxamide

N-[(2S,3S,6R)-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]cyclopropanecarboxamide

N-[(2R,3S,6S)-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]cyclopropanecarboxamide

N-[(2R,3R,6R)-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]cyclopropanecarboxamide

[(1R,5S)-7-[4-(2-methylphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-(2-pyrazinyl)methanone

N-[(2S,3R,6R)-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]cyclopropanecarboxamide

N-[(2S,3S,6S)-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]cyclopropanecarboxamide

C18H24F2N2O4 (370.17040480000003)

N-[(2S,3R,6S)-6-[2-[(3,5-difluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]propanamide

(6R,7S,8S)-8-(hydroxymethyl)-4-(2-methoxy-1-oxoethyl)-7-[4-(3-methylbut-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one

Lys-His-Ser

Lys-Ser-His

His-Lys-Ser

His-Ser-Lys

Ser-Lys-His

C20H27NaO5 (370.17560920000005)

sodium 4R,12S-dihydroxy-9-oxo-5E,7Z,10Z,13Z-prostatetraenoate-cyclo[8,12]

(3E)-4-(2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)but-3-en-2-yl beta-D-glucopyranoside

12-(4-ethoxyphenyl)-9,10,11a,12-tetrahydro-8H-benzo[b][4,7]phenanthrolin-11-one

[(3R,8R,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] hydrogen sulfate

(S)-cis-N-methyltetrahydropalmatine

2-[[(2R)-3-heptanoyloxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

C15H33NO7P+ (370.1994538)

2-[[(2R)-2-heptanoyloxy-3-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

C15H33NO7P+ (370.1994538)

2-[(3-Heptanoyloxy-2-hydroxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium

C15H33NO7P+ (370.1994538)

Calanolide A

D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents

5alpha-Dihydrotestosterone sulfate

A 3-oxo-5alpha-steroid that is 5alpha-dihydrotestosterone in which the hydroxy hydrogen at position 17 has been replaced by a sulfo group.

Epiandrosterone sulfate

D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones A steroid sulfate that is the 3-sulfate of epiandrosterone.

5-Megastigmen-7-yne-3,9-diol 3-glucoside

3-Hydroxy-7-methoxy-1-pentyl-9-propyldibenzo[b,d]furan-2-carboxylic acid

N(4)-Demethylechitamine

A natural product found in Alstonia spatulata.

8,12-dihydroxy-11-chloro-5Z,9Z,14Z,17Z-eicosatetraenoic acid

8,12-dihydroxy-9-chloro-5Z,10Z,14Z,17Z-eicosatetraenoic acid

(S)-1,2,9,10-tetramethoxy-6-methylaporphine(1+)

A aporphine alkaloid that is the quaternary ammonium ion obtained by methylation of the tertiary amino group of (S)-glaucine.

(+)-calanolide A

An organic heterotetracyclic compound that is 11,12-dihydro-2H,6H,10H-dipyrano[2,3-f:2,3-h]chromen-2-one substituted by a hydroxy group at position 12, methyl groups at positions 6, 6, 10 and 11 and a propyl group at position 4 (the 10R,11S,12S stereoisomer). Isolated from Calophyllum lanigerum var austrocoriaceum and Calophyllum brasiliense, it exhibits potent activity against HIV-1 reverse transcriptase.

(-)-calanolide B

An organic heterotetracyclic compound that is 11,12-dihydro-2H,6H,10H-dipyrano[2,3-f:2,3-h]chromen-2-one substituted by a hydroxy group at position 12, methyl groups at positions 6, 6, 10 and 11 and a propyl group at position 4 (the 10S,11R,12S stereoisomer). Isolated from Calophyllum lanigerum var austrocoriaceum and Calophyllum brasiliense, it exhibits potent activity against HIV-1 reverse transcriptase.

Androstaneolone sulfate

Androstanolone sulfate

Dihydro-testosterone sulfate

ST 19:1;O7

ST 22:6;O5

BI-167107

BI-167107 is a high affinity, full agonist that binds to the β2 adrenergic receptor (β2AR) with a dissociation constant Kd of 84 pM[1].

(1'r,3s,4's,7'e,8's,9's)-7'-ethylidene-1,6-dimethoxy-11'-oxa-5'-azaspiro[indole-3,2'-tricyclo[6.3.1.0⁴,⁹]dodecan]-2-one

4-(2,6,6-trimethyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohex-1-en-1-yl)but-3-en-2-one

2-hydroxy-1-{14-hydroxy-16-methyl-15-oxa-1,11-diazahexacyclo[15.3.1.0⁴,¹².0⁴,²⁰.0⁵,¹⁰.0¹³,¹⁸]henicosa-5,7,9-trien-11-yl}ethanone

methyl 2-hydroxy-1'-methyl-1',3',4',4'a,5',5'a,7',8',10',10'a-decahydrospiro[indole-3,6'-pyrano[3,4-f]indolizine]-4'-carboxylate

(3e)-4-[(4r)-2,6,6-trimethyl-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohex-1-en-1-yl]but-3-en-2-one

methyl (1s,15s,18r,19s,20r)-7,18-dihydroxy-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8-tetraene-19-carboxylate

methyl 2-hydroxy-1'-methyl-1',3',4',4'a,5',6',8',9',10'a,10'b-decahydrospiro[indole-3,10'-pyrano[4,3-g]indolizine]-4'-carboxylate

methyl 17,18-dihydroxy-2,12-diazahexacyclo[14.2.2.1⁹,¹².0¹,⁹.0³,⁸.0¹⁶,²¹]henicosa-3,5,7-triene-18-carboxylate

methyl 17,18-dihydroxy-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8-tetraene-19-carboxylate

4-hydroxy-7-methoxy-2,3,8-trimethyl-3-(4-methylpent-3-en-1-yl)-2h-naphtho[1,2-b]furan-6,9-dione

methyl (1s,9r,16s,17s,18r,21r)-17,18-dihydroxy-2,12-diazahexacyclo[14.2.2.1⁹,¹².0¹,⁹.0³,⁸.0¹⁶,²¹]henicosa-3,5,7-triene-18-carboxylate

methyl 12-(1-hydroxyethyl)-6-methoxy-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadeca-2,4,6,9-tetraene-10-carboxylate

(2s)-2-hydroxy-1-[4-hydroxy-2-methoxy-5-(3-methylbut-2-en-1-yl)phenyl]-3-(4-methoxyphenyl)propan-1-one

2-[(3,4-dimethoxyphenyl)methoxy]-7-methoxy-3-methyl-5-(prop-1-en-1-yl)-2,3-dihydro-1-benzofuran

(15s,17s,19s)-15-ethyl-17-hydroxy-17-(methoxycarbonyl)-1,11-diazapentacyclo[9.6.2.0²,⁷.0⁸,¹⁸.0¹⁵,¹⁹]nonadeca-2,4,6,8(18)-tetraen-11-ium-11-olate

(1r,8s,11r,15s)-6-methyl-2-(2-oxopropyl)-16-oxapentacyclo[13.2.2.0¹,¹³.0³,¹¹.0⁴,⁸]nonadec-9-ene-7,17,18-trione

(3e)-4-[(1r,4r)-2,6,6-trimethyl-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohex-2-en-1-yl]but-3-en-2-one

(2r,3r)-7-methoxy-3-methyl-5-[(1e)-prop-1-en-1-yl]-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran

methyl (1r,15s,17r,18r,19s,20r)-17,18-dihydroxy-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8-tetraene-19-carboxylate

(1r,3r,8s,10s,11s)-4-ethylidene-8-[4-methoxy-2-(methoxyamino)phenyl]-13-oxa-6-azatetracyclo[6.5.0.0³,¹¹.0⁶,¹⁰]tridecan-7-one

(2z)-2-[(3s,6'r,7's,8'as)-6'-ethyl-2-hydroxy-3',5',6',7',8',8'a-hexahydro-2'h-spiro[indole-3,1'-indolizin]-7'-yl]-3-methoxyprop-2-enoic acid

(2r,2ar,4as,6r,7ar,7br)-3-formyl-6,7b-dimethyl-1h,2h,2ah,4ah,5h,6h,7h,7ah-cyclobuta[e]inden-2-yl 2,4-dihydroxy-6-methylbenzoate

methyl (1s,15r,16r,19r,20s)-16-hydroxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8-tetraene-19-carboxylate

(2s,3s,4r,6r,8s,11s)-6-methyl-2-(2-oxopropyl)-16-oxapentacyclo[13.2.2.0¹,¹³.0³,¹¹.0⁴,⁸]nonadec-9-ene-7,17,18-trione

(1s,15r,18s,19r,20r)-18-hydroxy-19-(methoxycarbonyl)-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8-tetraen-13-ium-13-olate

(3s)-3-[3-hydroxy-2,4-dimethoxy-5-(2-methylbut-3-en-2-yl)phenyl]-3,4-dihydro-2h-1-benzopyran-7-ol

11-hydroxyhumantenine

{"Ingredient_id": "HBIN000446","Ingredient_name": "11-hydroxyhumantenine","Alias": "NA","Ingredient_formula": "C21H26N2O4","Ingredient_Smile": "CC=C1CN(C2CC3(C4CC1C2CO4)C5=C(C=C(C=C5)O)N(C3=O)OC)C","Ingredient_weight": "370.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10167","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "102004537","DrugBank_id": "NA"}

15-hydroxyhumamtenine

{"Ingredient_id": "HBIN001688","Ingredient_name": "15-hydroxyhumamtenine","Alias": "NA","Ingredient_formula": "C21H26N2O4","Ingredient_Smile": "CC=C1CN(C2CC3(C4CC1(C2CO4)O)C5=CC=CC=C5N(C3=O)OC)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31201","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

15-hydroxyhumantenine

{"Ingredient_id": "HBIN001689","Ingredient_name": "15-hydroxyhumantenine","Alias": "NA","Ingredient_formula": "C21H26N2O4","Ingredient_Smile": "CC=C1CN(C2CC3(C4CC1(C2CO4)O)C5=CC=CC=C5N(C3=O)OC)C","Ingredient_weight": "370.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10168","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101606434","DrugBank_id": "NA"}

19-(r)-hydroxydihydrogelsevirine

{"Ingredient_id": "HBIN002215","Ingredient_name": "19-(r)-hydroxydihydrogelsevirine","Alias": "NA","Ingredient_formula": "C21H26N2O4","Ingredient_Smile": "CC(C12CN(C3C1C4(C5CC2C3CO5)C6=CC=CC=C6N(C4=O)OC)C)O","Ingredient_weight": "370.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10000","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101601180","DrugBank_id": "NA"}

19-(s)-hydroxydihydrogelsevirine

{"Ingredient_id": "HBIN002221","Ingredient_name": "19-(s)-hydroxydihydrogelsevirine","Alias": "NA","Ingredient_formula": "C21H26N2O4","Ingredient_Smile": "CC(C12CN(C3C1C4(C5CC2C3CO5)C6=CC=CC=C6N(C4=O)OC)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10001","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

6-allyl-7-(3,4-dimethoxyphenyl)-2,3-dimethoxy-8-methyl-tricyclo[4.2.0.02,8]oct-3-en-5-one

{"Ingredient_id": "HBIN012182","Ingredient_name": "6-allyl-7-(3,4-dimethoxyphenyl)-2,3-dimethoxy-8-methyl-tricyclo[4.2.0.02,8]oct-3-en-5-one","Alias": "NA","Ingredient_formula": "C22H26O5","Ingredient_Smile": "CC12C(C3(C1C2(C(=CC3=O)OC)OC)CC=C)C4=CC(=C(C=C4)OC)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "946","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

(6s,9r)-deoxyroseoside

{"Ingredient_id": "HBIN012811","Ingredient_name": "(6s,9r)-deoxyroseoside","Alias": "NA","Ingredient_formula": "C19H30O7","Ingredient_Smile": "CC1=CC(=O)CC(C1C=CC(C)OC2C(C(C(C(O2)CO)O)O)O)(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5209","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

amsosinine

{"Ingredient_id": "HBIN015914","Ingredient_name": "amsosinine","Alias": "NA","Ingredient_formula": "C21H26N2O4","Ingredient_Smile": "CC1(C2CN3CCC4=C(C3CC2C(CO1)C(=O)OC)NC5=CC=CC=C45)O","Ingredient_weight": "370.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1089","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "5318152","DrugBank_id": "NA"}

aspidodasycarpine