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Lutein F

Table of Contents

Details
Physical and Chemical Properties
Synonyms
2D Structure
3D Structure
ADMET Properties
Targets (proven and/or predicted)
Plants that contains it
Cross-Links

Details

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Internal ID 6840507d-be41-4423-b5da-56458a919d3d
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Tetraterpenoids > Carotenoids > Xanthophylls
IUPAC Name (1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36+,37+/m0/s1
InChI Key KBPHJBAIARWVSC-WTAPCXIZSA-N
Popularity 3,023 references in papers

Physical and Chemical Properties

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Molecular Formula C40H56O2
Molecular Weight 568.90 g/mol
Exact Mass 568.42803102 g/mol
Topological Polar Surface Area (TPSA) 40.50 Ų
XlogP 11.00

Synonyms

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SCHEMBL13017496
LMPR01070029
(1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol

2D Structure

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2D Structure of Lutein F

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.50% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 93.94% 91.11%
CHEMBL4040 P28482 MAP kinase ERK2 92.94% 83.82%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 86.80% 95.56%
CHEMBL1293249 Q13887 Kruppel-like factor 5 86.58% 86.33%
CHEMBL1937 Q92769 Histone deacetylase 2 85.95% 94.75%
CHEMBL1870 P28702 Retinoid X receptor beta 85.51% 95.00%
CHEMBL1806 P11388 DNA topoisomerase II alpha 85.27% 89.00%
CHEMBL1994 P08235 Mineralocorticoid receptor 83.86% 100.00%
CHEMBL5608 Q16288 NT-3 growth factor receptor 83.20% 95.89%
CHEMBL241 Q14432 Phosphodiesterase 3A 83.04% 92.94%
CHEMBL2004 P48443 Retinoid X receptor gamma 82.52% 100.00%
CHEMBL4224 P49759 Dual specificty protein kinase CLK1 82.37% 85.30%
CHEMBL2061 P19793 Retinoid X receptor alpha 81.35% 91.67%
CHEMBL2581 P07339 Cathepsin D 81.33% 98.95%
CHEMBL3492 P49721 Proteasome Macropain subunit 81.10% 90.24%
CHEMBL3524 P56524 Histone deacetylase 4 80.63% 92.97%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 80.54% 91.71%
CHEMBL4208 P20618 Proteasome component C5 80.12% 90.00%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
There are no matching plants.

Cross-Links

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PubChem 16061195
LOTUS LTS0214399
wikiData Q104389653