Structure Database (LMSD)

Common Name
Dendrolasin
Systematic Name
3-(4,8-Dimethylnona-3,7-dienyl)-furan
Synonyms
LM ID
LMPR0103020002
Formula
Exact Mass
Calculate m/z
218.167065
Status
Curated

Classification

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Lasius fuliginosus (#231986)
Insecta (#50557)
The structure of dendrolasin,
Tetrahedron, 1957

String Representations

InChiKey (Click to copy)
LZBXPXAOYQVZEC-RIYZIHGNSA-N
InChi (Click to copy)
InChI=1S/C15H22O/c1-13(2)6-4-7-14(3)8-5-9-15-10-11-16-12-15/h6,8,10-12H,4-5,7,9H2,1-3H3/b14-8+
SMILES (Click to copy)
C1(=COC=C1)CC/C=C(\C)/CC/C=C(\C)/C

Other Databases

KEGG ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 1
Aromatic Rings 1
Rotatable Bonds 6
Van der Waals Molecular Volume 243.03
Topological Polar Surface Area 13.14
Hydrogen Bond Donors
Hydrogen Bond Acceptors 1
logP 4.90
Molar Refractivity 69.45

Admin

Created at
28th Jan 2025
Updated at
28th Jan 2025