Structure Database (LMSD)
Common Name
Agrocybin
Systematic Name
8-hydroxyocta-2,4,6-triynamide
Synonyms
3D model of Agrocybin
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Agrocybe sp.
(#1967158)
Agaricomycetes
(#155619)
Progress in the Chemistry of Organic Natural Products, 1967
String Representations
InChiKey (Click to copy)
OXONWCQUZYDTNF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C8H5NO2/c9-8(11)6-4-2-1-3-5-7-10/h10H,7H2,(H2,9,11)
SMILES (Click to copy)
C(C#CC#CCO)#CC(=O)N
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
11
Rings
0
Aromatic Rings
0
Rotatable Bonds
0
Van der Waals Molecular Volume
157.06
Topological Polar Surface Area
63.32
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
-1.24
Molar Refractivity
40.10
Admin
Created at
-
Updated at
21st Jul 2021