Structure via PubChem · Public domain (PubChem)
agroclavine
Sign in to saveAlso known as (5R,10R)-agroclavine, (-)-agroclavine, (6aR,10aR)-7,9-dimethyl-4,6,6a,7,8,10a-hexahydroindolo[4,3-fg]quinoline, 8,9-didehydro-6,8-dimethylergoline
Agroclavine belongs to the group of ergot alkaloids, which also includes ergotamine. Historically, the main use of agroclavine was in the synthesis of ergot-based drugs; agroclavine can be oxidized to elymoclavine, which then undergoes further processing.
Chemical data
- Formula
- C16H18N2
- Molecular weight
- 238.33 g/mol
- IUPAC name
- (6aR,10aR)-7,9-dimethyl-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinoline
- SMILES
- CC1=C[C@H]2[C@@H](CC3=CNC4=CC=CC2=C34)N(C1)C
- InChIKey
- XJOOMMHNYOJWCZ-UKRRQHHQSA-N
- XLogP
- 2.6
- Polar surface area
- 19 Ų
- H-bond donors
- 1
- H-bond acceptors
- 1
- Formal charge
- 0
via PubChem
Drug data · ChEMBL
- Molecule type
- Small molecule
via ChEMBL · EBI
Wikidata facts
- Mass
- 238.147
Show 4 more facts
- found in taxon
- Penicillium
- chemical formula
- C₁₆H₁₈N₂
- isomeric SMILES
- CC1=C[C@H]2[C@@H](CC3=CNC4=CC=CC2=C34)N(C1)C
- canonical SMILES
- CC1=CC2C(CC3=CNC4=CC=CC2=C34)N(C1)C
Sources (2)
via Wikidata · CC0
~1 min read
Encyclopedic overview
1 sectionsContents
- References
Agroclavine belongs to the group of ergot alkaloids, which also includes ergotamine. Historically, the main use of agroclavine was in the synthesis of ergot-based drugs; agroclavine can be oxidized to elymoclavine, which then undergoes further processing.
==References==
Excerpted from Wikipedia’s “agroclavine” article, available under the CC BY-SA 4.0 licence.