ergometrinine (Q15633935)

inferred from SMILES

chemical structure

Ergometrinine.svg
1,015 × 1,310; 17 KB

0 references

mass

325.179±0 dalton

1 reference

Ergometrinine (English)

(6aR,9R)-N-[(2R)-1-hydroxypropan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

14 October 2016

stereoisomer of

2 references

2 references

(6aR,9S)-N-[(2R)-1-hydroxypropan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

inferred from InChI

1 reference

inferred from InChI

chemical formula

C₁₉H₂₃N₃O₂

1 reference

Ergometrinine (English)

14 October 2016

canonical SMILES

CC(CO)NC(=O)C1CN(C2CC3=CNC4=CC=CC(=C34)C2=C1)C

1 reference

Ergometrinine (English)

14 October 2016

isomeric SMILES

C[C@@H](CO)NC(=O)[C@@H]1CN([C@@H]2CC3=CNC4=CC=CC(=C34)C2=C1)C

1 reference

Ergometrinine (English)

14 October 2016

found in taxon

Jacquemontia tamnifolia

1 reference

Psychotomimetic Ergot Alkaloid Contents of Seed from Calonyction muricatum, Jacquemontia tamnifolia, Quamoclit lobata, and Q. sloteri

Balansia claviceps

1 reference

Lysergic Acid Amide Derivatives From Balansia epichloë and Balansia claviceps (Clavicipitaceae)

Balansia epichloe

1 reference

Lysergic Acid Amide Derivatives From Balansia epichloë and Balansia claviceps (Clavicipitaceae)

Claviceps purpurea

3 references

Separation of ergot alkaloids and their epimers and determination in sclerotia by capillary electrophoresis

Isolation of ergovaline, ergoptine, and ergonine, new alkaloids of the peptide type, from ergot sclerotia

1 reference

ERGOT ALKALOID CONTENTS OF Ipomoea lacunosa, I. hederaceae, I. trichocarpa, AND I. purpurea SEED

Ipomoea purpurea

1 reference

ERGOT ALKALOID CONTENTS OF Ipomoea lacunosa, I. hederaceae, I. trichocarpa, AND I. purpurea SEED

Ipomoea muricata

1 reference

Psychotomimetic Ergot Alkaloid Contents of Seed from Calonyction muricatum, Jacquemontia tamnifolia, Quamoclit lobata, and Q. sloteri

Ipomoea turbinata

1 reference

Psychotomimetic Ergot Alkaloid Contents of Seed from Calonyction muricatum, Jacquemontia tamnifolia, Quamoclit lobata, and Q. sloteri

Ipomoea capillacea

1 reference

Psychotomimetic Ergot Alkaloid Contents of Seed from Calonyction muricatum, Jacquemontia tamnifolia, Quamoclit lobata, and Q. sloteri

Identifiers

InChI

InChI=1S/C19H23N3O2/c1-11(10-23)21-19(24)13-6-15-14-4-3-5-16-18(14)12(8-20-16)7-17(15)22(2)9-13/h3-6,8,11,13,17,20,23H,7,9-10H2,1-2H3,(H,21,24)/t11-,13-,17+/m0/s1

1 reference

Ergometrinine (English)

14 October 2016

1 reference

Global Substance Registration System

Ergometrinine (English)

14 October 2016

2 references

UNII

5EXN22NGMW

ergometrinine (English)

14 October 2016

https://commonchemistry.cas.org/detail?cas_rn=479-00-5

8 April 2021

1 reference

Ergonovinine (English)

14 October 2016

2 references

Ergometrinine (English)

14 October 2016

ChEBI ID

221611

mapping relation type

exact match

1 reference

International Chemical Identifier

InChI

InChI=1S/C19H23N3O2/c1-11(10-23)21-19(24)13-6-15-14-4-3-5-16-18(14)12(8-20-16)7-17(15)22(2)9-13/h3-6,8,11,13,17,20,23H,7,9-10H2,1-2H3,(H,21,24)/t11-,13-,17+/m0/s1

1 reference

CHEMBL1555758 (English)

14 October 2016

2 references

DSSTOX compound identifier

1 reference

MassBank accession ID

0 references

0 references

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0 references

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0 references

2 references

Global Substance Registration System

UNII

5EXN22NGMW

ergometrinine (English)

14 October 2016

Natural Product Atlas ID

NPA011882

2 references