Structure Database (LMSD)

Common Name
Faranal
Systematic Name
3,4,7,11-Tetramethyl-6E,10Z-tridecadienal
Synonyms
LM ID
LMFA06000169
Formula
C17H30O
Exact Mass
Calculate m/z
250.419506
Sum Composition
FAL 17:2
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Level 4 Class
Fatty Acyls [FA]
Fatty aldehydes [FA06]
Prenol Lipids [PR]
Isoprenoids [PR01]
C15 isoprenoids (sesquiterpenes) [PR0103]
Acyclic farnesane sesquiterpenoids [PR010301]

References

Comments
Pherobase

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Monomorium pharaonis (#307658)
Insecta (#50557)
Trail pheromone of the Pharaoh's ant, Monomorium pharaonis: isolation and identification of faranal, a terpenoid related to juvenile hormone II,
Tetrahedron Letts, 1977

String Representations

InChiKey (Click to copy)
RXBWBMXVYZIXDB-DCQZTHCWSA-N
InChi (Click to copy)
InChI=1S/C17H30O/c1-6-14(2)8-7-9-15(3)10-11-16(4)17(5)12-13-18/h8,10,13,16-17H,6-7,9,11-12H2,1-5H3/b14-8-,15-10+
SMILES (Click to copy)
C(CC(C)C(C)C/C=C(\C)/CC/C=C(\CC)/C)(=O)[H]

Other Databases

CHEBI ID
188057
PubChem CID
13003485

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 303.53
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 5.32
Molar Refractivity 80.67

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Created at
-
Updated at
4th Dec 2024