Structure Database (LMSD)

Common Name
Lycoxanthin
Systematic Name
psi,psi-Carotene-16-ol
Synonyms
  • Lycopen-16-ol
LM ID
LMPR01070276
Formula
C40H56O
Exact Mass
Calculate m/z
552.433115
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C40 isoprenoids (tetraterpenes) [PR0107]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Solanum dulcamara (#45834)
Magnoliopsida (#3398)
Carotenoids of higher plants. 4. The stereochemistry of lycoxanthin and lycophyll.,
Acta Chem Scand, 1971
Pubmed ID: 5099105

String Representations

InChiKey (Click to copy)
IFTRFNLCKUZSNG-SFEKFZNLSA-N
InChi (Click to copy)
InChI=1S/C40H56O/c1-33(2)18-12-21-36(5)24-15-27-37(6)25-13-22-34(3)19-10-11-20-35(4)23-14-26-38(7)28-16-29-39(8)30-17-31-40(9)32-41/h10-11,13-16,18-20,22-29,31,41H,12,17,21,30,32H2,1-9H3/b11-10+,22-13+,23-14+,27-15+,28-16+,34-19+,35-20+,36-24+,37-25+,38-26+,39-29+,40-31+
SMILES (Click to copy)
C(/C)(=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CC/C=C(\C)/C)\C=C\C=C(/C)\CC/C=C(\C)/CO

Other Databases

KEGG ID
C08603
CHEBI ID
6602
PubChem CID
5281245
Carotenoid ID
CA00071

Calculated Physicochemical Properties

Heavy Atoms 41
Rings 0
Aromatic Rings 0
Rotatable Bonds 17
Van der Waals Molecular Volume 675.03
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 12.20
Molar Refractivity 187.47

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Created at
-
Updated at
22nd Mar 2024