Structure Database (LMSD)
Systematic Name
2,3-Octadiene-5,7-diyn-1-ol
Synonyms
3D model of
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
Lentinula edodes
(#5353)
Agaricomycetes
(#155619)
Increased or Induced Formation of Antifungal Substances in Cultures of Lentinus edodes by the Attack of Trichoderma spp,
Proc Jap Acad B, 1987
Proc Jap Acad B, 1987
DOI:
10.2183/pjab.63.277
String Representations
InChiKey (Click to copy)
MFQBYQJLDHIYCH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C8H6O/c1-2-3-4-5-6-7-8-9/h1,5,7,9H,8H2
SMILES (Click to copy)
C(C=C=CC#CC#C)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
9
Rings
Aromatic Rings
Rotatable Bonds
1
Van der Waals Molecular Volume
139.91
Topological Polar Surface Area
20.23
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
1
logP
0.61
Molar Refractivity
36.84
Admin
Created at
31st Jan 2022
Updated at
31st Jan 2022