NCBI Taxonomy: 398502

Ipomoea violacea (ncbi_taxid: 398502)

found 67 associated metabolites at species taxonomy rank level.

Ancestor: Ipomoea

Child Taxonomies: none taxonomy data.

Ergosine

.alpha.-Ergosine

C30H37N5O5 (547.2794552)


An ergot alkaloid isolated from the fungus Epichloe typhina. CONFIDENCE Claviceps purpurea sclerotia

   

Agroclavine

InChI=1\C16H18N2\c1-10-6-13-12-4-3-5-14-16(12)11(8-17-14)7-15(13)18(2)9-10\h3-6,8,13,15,17H,7,9H2,1-2H

C16H18N2 (238.1469908)


An ergot alkaloid that is ergoline which contains a double bond between positions 8 and 9, and which is substituted by methyl groups at positions 6 and 8.

   

Ergonovine

(4R,7R)-N-[(2S)-1-hydroxypropan-2-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2,9,12,14-pentaene-4-carboxamide

C19H23N3O2 (325.1790178)


Ergonovine is only found in individuals that have used or taken this drug. It is an ergot alkaloid with uterine and vascular smooth muscle contractile properties. [PubChem]Ergonovine directly stimulates the uterine muscle to increase force and frequency of contractions. With usual doses, these contractions precede periods of relaxation; with larger doses, basal uterine tone is elevated and these relaxation periods will be decreased. Contraction of the uterine wall around bleeding vessels at the placental site produces hemostasis. Ergonovine also induces cervical contractions. The sensitivity of the uterus to the oxytocic effect is much greater toward the end of pregnancy. The oxytocic actions of ergonovine are greater than its vascular effects. Ergonovine, like other ergot alkaloids, produces arterial vasoconstriction by stimulation of alpha-adrenergic and serotonin receptors and inhibition of endothelial-derived relaxation factor release. It is a less potent vasoconstrictor than ergotamine. As a diagnostic aid (coronary vasospasm), ergonovine causes vasoconstriction of coronary arteries. G - Genito urinary system and sex hormones > G02 - Other gynecologicals > G02A - Uterotonics > G02AB - Ergot alkaloids C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist C78272 - Agent Affecting Nervous System > C66884 - Dopamine Agonist D012102 - Reproductive Control Agents > D010120 - Oxytocics

   

Chanoclavine

2-Propen-1-ol, 2-methyl-3-(1,3,4,5-tetrahydro-4-(methylamino)benz(cd)indol-5-yl)-, (4R-(4alpha,5beta(E)))-

C16H20N2O (256.157555)


CONFIDENCE Claviceps purpurea sclerotia

   

Elymoclavin

Ergoline-8-methanol,8,9-didehydro-6-methyl-

C16H18N2O (254.1419058)


   

Ergine

Ergoline-8-carboxamide, 9,10-didehydro-6-methyl-, (8.beta.)-

C16H17N3O (267.1371552)


   

Elymoclavine

{6-methyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),3,9,12,14-pentaen-4-yl}methanol

C16H18N2O (254.1419058)


   
   

Ergonovine

Ergometrine

C19H23N3O2 (325.1790178)


A monocarboxylic acid amide that is lysergamide in which one of the hydrogens attached to the amide nitrogen is substituted by a 1-hydroxypropan-2-yl group (S-configuration). An ergot alkaloid that has a particularly powerful action on the uterus, its maleate (and formerly tartrate) salt is used in the active management of the third stage of labour, and to prevent or treat postpartum of postabortal haemorrhage caused by uterine atony: by maintaining uterine contraction and tone, blood vessels in the uterine wall are compressed and blood flow reduced. G - Genito urinary system and sex hormones > G02 - Other gynecologicals > G02A - Uterotonics > G02AB - Ergot alkaloids C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist C78272 - Agent Affecting Nervous System > C66884 - Dopamine Agonist D012102 - Reproductive Control Agents > D010120 - Oxytocics CONFIDENCE Claviceps purpurea sclerotia relative retention time with respect to 9-anthracene Carboxylic Acid is 0.382 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.380 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.373 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.375

   

Setoclavine

4,6-dimethyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),2,9,12,14-pentaen-4-ol

C16H18N2O (254.1419058)


   

LYSERGAMIDE

LYSERGAMIDE

C16H17N3O (267.1371552)


An ergoline alkaloid comprising ergoline lacking hydrogens at positions 9 and 10 and also having a methyl group attached to the piperidine nitrogen.

   

Elymoclavine

Ergoline-8-methanol,8,9-didehydro-6-methyl-

C16H18N2O (254.1419058)


   

(4s,7r)-6-methyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2,9,12,14-pentaene-4-carboximidic acid

(4s,7r)-6-methyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2,9,12,14-pentaene-4-carboximidic acid

C16H17N3O (267.1371552)


   

(2s,3s,4r,5r,6s)-2-methyl-5-{[(2s)-2-methylbutanoyl]oxy}-6-{[(1s,3r,4s,5r,6r,8r,10s,22s,23r,24r,26r)-4,5,23-trihydroxy-24-(hydroxymethyl)-6-methyl-20-oxo-10-pentyl-2,7,9,21,25-pentaoxatricyclo[20.3.1.0³,⁸]hexacosan-26-yl]oxy}-4-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl (2s)-2-methylbutanoate

(2s,3s,4r,5r,6s)-2-methyl-5-{[(2s)-2-methylbutanoyl]oxy}-6-{[(1s,3r,4s,5r,6r,8r,10s,22s,23r,24r,26r)-4,5,23-trihydroxy-24-(hydroxymethyl)-6-methyl-20-oxo-10-pentyl-2,7,9,21,25-pentaoxatricyclo[20.3.1.0³,⁸]hexacosan-26-yl]oxy}-4-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl (2s)-2-methylbutanoate

C50H86O21 (1022.5661306)


   

(1r,2s,3r,5s,6r)-8-azabicyclo[3.2.1]octane-1,2,3,6-tetrol

(1r,2s,3r,5s,6r)-8-azabicyclo[3.2.1]octane-1,2,3,6-tetrol

C7H13NO4 (175.0844538)


   

(4s,7r)-n-[(1s)-1-hydroxyethyl]-6-methyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2,9,12,14-pentaene-4-carboximidic acid

(4s,7r)-n-[(1s)-1-hydroxyethyl]-6-methyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2,9,12,14-pentaene-4-carboximidic acid

C18H21N3O2 (311.1633686)


   

(4s,7r)-n-[(1s,4r,7s)-2-hydroxy-4-methyl-7-(2-methylpropyl)-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.0²,⁶]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2,9,12,14-pentaene-4-carboximidic acid

(4s,7r)-n-[(1s,4r,7s)-2-hydroxy-4-methyl-7-(2-methylpropyl)-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.0²,⁶]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2,9,12,14-pentaene-4-carboximidic acid

C30H37N5O5 (547.2794552)


   

(4r,7r)-n-(1-hydroxyethyl)-6-methyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2,9,12,14-pentaene-4-carboximidic acid

(4r,7r)-n-(1-hydroxyethyl)-6-methyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2,9,12,14-pentaene-4-carboximidic acid

C18H21N3O2 (311.1633686)


   

(1r,2s,3r,4s,5r,6r)-8-azabicyclo[3.2.1]octane-1,2,3,4,6-pentol

(1r,2s,3r,4s,5r,6r)-8-azabicyclo[3.2.1]octane-1,2,3,4,6-pentol

C7H13NO5 (191.0793688)


   

(4r,7r)-n-[(2s)-1-hydroxypropan-2-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2,9,12,14-pentaene-4-carboximidic acid

(4r,7r)-n-[(2s)-1-hydroxypropan-2-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2,9,12,14-pentaene-4-carboximidic acid

C19H23N3O2 (325.1790178)


   

(4r,7r)-n-[(1s,2s,4r,7s)-2-hydroxy-4-methyl-7-(2-methylpropyl)-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.0²,⁶]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2,9,12,14-pentaene-4-carboximidic acid

(4r,7r)-n-[(1s,2s,4r,7s)-2-hydroxy-4-methyl-7-(2-methylpropyl)-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.0²,⁶]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2,9,12,14-pentaene-4-carboximidic acid

C30H37N5O5 (547.2794552)


   

(4s,7r)-n-[(1s,2s,4r,7s)-2-hydroxy-4-methyl-7-(2-methylpropyl)-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.0²,⁶]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2,9,12,14-pentaene-4-carboximidic acid

(4s,7r)-n-[(1s,2s,4r,7s)-2-hydroxy-4-methyl-7-(2-methylpropyl)-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.0²,⁶]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2,9,12,14-pentaene-4-carboximidic acid

C30H37N5O5 (547.2794552)


   

acetaldehyde ammonia; isolysergic acid

acetaldehyde ammonia; isolysergic acid

C18H23N3O3 (329.1739328)


   

(4r,7r)-n-[(1s)-1-hydroxyethyl]-6-methyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2,9,12,14-pentaene-4-carboximidic acid

(4r,7r)-n-[(1s)-1-hydroxyethyl]-6-methyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2,9,12,14-pentaene-4-carboximidic acid

C18H21N3O2 (311.1633686)


   

(1r,2s,3r,5s,6s)-8-azabicyclo[3.2.1]octane-1,2,3,6-tetrol

(1r,2s,3r,5s,6s)-8-azabicyclo[3.2.1]octane-1,2,3,6-tetrol

C7H13NO4 (175.0844538)


   

(2s,3s,4r,5r)-2-methyl-5-[(2-methylbutanoyl)oxy]-6-{[(3r,4s,5r,6r,8r,10s,22s,23r,24r,26r)-4,5,23-trihydroxy-24-(hydroxymethyl)-6-methyl-20-oxo-10-pentyl-2,7,9,21,25-pentaoxatricyclo[20.3.1.0³,⁸]hexacosan-26-yl]oxy}-4-{[(3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl 2-methylbutanoate

(2s,3s,4r,5r)-2-methyl-5-[(2-methylbutanoyl)oxy]-6-{[(3r,4s,5r,6r,8r,10s,22s,23r,24r,26r)-4,5,23-trihydroxy-24-(hydroxymethyl)-6-methyl-20-oxo-10-pentyl-2,7,9,21,25-pentaoxatricyclo[20.3.1.0³,⁸]hexacosan-26-yl]oxy}-4-{[(3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl 2-methylbutanoate

C50H86O21 (1022.5661306)