Carotenoids obi
All carotenoids     All organisms     All pathways     All reactions     Feedback
Carotenoids DB          Carotenoids DB: CA01116   
[   About  |   Help  |   Search carotenoid entry  |   Search organism entry  |   Search similar carotenoids  |   Predict biological activities of this carotenoid  |   Search possible biosynthetic routes of this carotenoid   ]
Entry
CA01116                                                            
Classification
Carotenoid Name
(6R,7E)-4,7-megastigmadien-3,9-dione
IUPAC name (6R)-9-Apo-9,10-dihydro-epsilon-caroten-3,3,9,9-tetorol
Formula
C13H22O4
Molecular Weight 
242.306 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
2
Number of
conjugated multiple bonds 
2
Isomers 
  • Constitutional isomer: CA01018
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    0.682
    Hydrogen Bond donors
    (Lipinski's definition)
    4
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    4
    LipinskiFailures
    0
    Complexity of molecule
    0.154
    Number of heavy atoms
    17
    TPSA
    (Topological Polar Surface Area) 
    80.920 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Chenopodium album (Ref.167) - Land plant: white goosefoot, lamb's-quarters (Streptophyta - Amaranthaceae)
    References
  • Ref.167: Della Greca, Marina; Di Marino, Cinzia; Zarrelli, Armando; D'Abrosca, Brigida, Journal of Natural Products, Volume67, Issue9, Pages1492-1495, Journal, 2004, CODEN:JNPRDF ISSN:0163-3864 DOI:10.1021/np049857q, "Isolation and phytotoxicity of apocarotenoids from Chenopodium album".
    • CAS

    Links to other DB

       Searching other references with Google Scholar or searching the colour of this carotenoid by Google image search