Agrocybin
Basic information
- CAS
544-44-5- Standard SMILES
NC(=O)C#CC#CC#CCO- InChIKey
OXONWCQUZYDTNF-UHFFFAOYSA-N- Molecular formula
- C8H5NO2
- Average molar mass
- 147.13 g/mol
- Monoisotopic mass
- 147.0320284
Overview
agrocybin has been reported in Agrocybe dura and Marasmius oreades with data available.
Names & identifiers
- Preferred name
- Agrocybin
- IUPAC
- 8-hydroxyocta-2,4,6-triynamide
- English name
- 8-Hydroxy-2,4,6-octatriyneoic amide
- Molecular formula
- C8H5NO2
- Molecular weight
- 147.13
Names & synonyms
Agrocybin8-hydroxyocta-2,4,6-triynamide8-Hydroxy-2,4,6-octatriynamideA0AFV4JUITUNII-A0AFV4JUITBRN 17619572,4,6-OCTATRIYNAMIDE, 8-HYDROXY-AGROCYBIN [MI]NSC-636326DTXSID202027864-03-00-01047 (Beilstein Handbook Reference)8-hydroxyocta-2,4,6-trynoic acid amide
Show more names
8-Hydroxy-2,4,6-octatriyneoic amide
acetate amideRefChem:110220DTXCID50125277AcetamidAzetamidCHEBI:59833EssigsaeureamidEthanamid
Database identifiers
- CAS
544-44-5- PubChem CID
- 11004
- DTXSID
DTXSID20202786- ChEMBL
CHEMBL1967731- UNII
- A0AFV4JUIT
- Nikkaji
- J6.417C
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 341
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty amides [FA08] -> Primary amides [FA0801]
Melting Point130 - 140 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 140 ° · 140° (conflagrates)
- FDA UNII
- 0 AFV4JUIT · A0AFV4JUIT
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Applications
UsesAgrocybin is an antifungal peptide that exerts antifungal activity against several fungal species but lacks inhibitory activity against bacteria. Agrocybin attenuates the activity of HIV-1 reverse transcriptase[1].
Additional notes
DefinitionChEBI: A triyne amide produced by the Brazilian fungus Agrocybe perfecta (Basidiomycota).
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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