Structure Database (LMSD)

Systematic Name
2,3-Octadiene-5,7-diyn-1-ol
Synonyms
LM ID
LMFA05000758
Formula
Exact Mass
Calculate m/z
118.041865
Sum Composition
Status
Active

Classification

Category
Main Class
Sub Class

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

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

CHEBI ID
PubChem CID

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