Structure Database (LMSD)

Systematic Name
(2E,4E,6Z)-7-(7,7-Dimethyl-4,5,6,7-tetrahydro-1H-inden-2-yl)-3-methyl-octa-2,4,6-trienal
Synonyms
LM ID
LMPR01090038
Formula
C20H26O
Exact Mass
Calculate m/z
282.198365
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Prenol Lipids [PR]
Isoprenoids [PR01]
Retinoids [PR0109]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
synthetic construct (#32630)
A novel rhodopsin analog with bicyclic retinal involving the 8-18 bonded structure in the chromophore.,
J Nutr Sci Vitaminol (Tokyo), 1988
Pubmed ID: 3244052

String Representations

InChiKey (Click to copy)
QVFXZTQSISCRSY-SJJLUNSHSA-N
InChi (Click to copy)
InChI=1S/C20H26O/c1-15(10-12-21)7-5-8-16(2)18-13-17-9-6-11-20(3,4)19(17)14-18/h5,7-8,10,12-13H,6,9,11,14H2,1-4H3/b7-5+,15-10+,16-8-
SMILES (Click to copy)
C1CC2C=C(CC=2C(C)(C)C1)/C(=C\C=C\C(\C)=C\C=O)/C

Other Databases

LIPIDBANK ID
VVA0037
PubChem CID
16061325

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 2
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 322.79
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 5.47
Molar Refractivity 90.08

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Created at
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Updated at
20th Dec 2022