4-Hydroxyzeaxanthin

Details

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Internal ID ee27421a-37d9-4212-ab59-0eb39c86663b
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Tetraterpenoids > Carotenoids > Xanthophylls
IUPAC Name (1S)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-ene-1,2-diol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C40H56O3/c1-28(17-13-19-30(3)21-23-35-32(5)25-34(41)26-39(35,7)8)15-11-12-16-29(2)18-14-20-31(4)22-24-36-33(6)38(43)37(42)27-40(36,9)10/h11-24,34,37-38,41-43H,25-27H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,28-15+,29-16+,30-19+,31-20+/t34-,37+,38?/m1/s1
InChI Key RNQDFWZVKBSPOZ-NBDHXNPCSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C40H56O3
Molecular Weight 584.90 g/mol
Exact Mass 584.42294564 g/mol
Topological Polar Surface Area (TPSA) 60.70 Ų
XlogP 9.80

Synonyms

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DTXSID601289196
beta,beta-Carotene-3,3',4-triol, (3S,3'R)-
97134-07-1

2D Structure

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2D Structure of 4-Hydroxyzeaxanthin

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 92.55% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 89.83% 91.11%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 85.66% 95.50%
CHEMBL1870 P28702 Retinoid X receptor beta 85.32% 95.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 84.89% 95.56%
CHEMBL5608 Q16288 NT-3 growth factor receptor 84.66% 95.89%
CHEMBL1293249 Q13887 Kruppel-like factor 5 84.38% 86.33%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 83.96% 91.71%
CHEMBL2581 P07339 Cathepsin D 83.87% 98.95%
CHEMBL2061 P19793 Retinoid X receptor alpha 83.35% 91.67%
CHEMBL2004 P48443 Retinoid X receptor gamma 82.90% 100.00%
CHEMBL1937 Q92769 Histone deacetylase 2 82.41% 94.75%
CHEMBL1806 P11388 DNA topoisomerase II alpha 81.79% 89.00%
CHEMBL3492 P49721 Proteasome Macropain subunit 81.30% 90.24%
CHEMBL241 Q14432 Phosphodiesterase 3A 81.10% 92.94%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 131841567
LOTUS LTS0174552
wikiData Q105241770