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Cycloviolaxanthin

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 d73622a7-5297-4aea-80f9-f7883dae3df4
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Tetraterpenoids > Carotenoids > Xanthophylls
IUPAC Name (1R,2R,4S)-1-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,2R,4S)-2-hydroxy-2,6,6-trimethyl-7-oxabicyclo[2.2.1]heptan-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,6,6-trimethyl-7-oxabicyclo[2.2.1]heptan-2-ol
SMILES (Canonical) CC(=CC=CC=C(C)C=CC=C(C)C=CC12C(CC(O1)CC2(C)O)(C)C)C=CC=C(C)C=CC34C(CC(O3)CC4(C)O)(C)C
SMILES (Isomeric) C/C(=C\C=C\C=C(\C=C\C=C(\C=C\[C@@]12O[C@@H](CC1(C)C)C[C@]2(O)C)/C)/C)/C=C/C=C(/C=C/[C@@]34O[C@@H](CC3(C)C)C[C@]4(O)C)\C
InChI InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-23-39-35(5,6)25-33(43-39)27-37(39,9)41)15-11-12-16-30(2)18-14-20-32(4)22-24-40-36(7,8)26-34(44-40)28-38(40,10)42/h11-24,33-34,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t33-,34-,37+,38+,39+,40+/m0/s1
InChI Key RZEVGLVRLUDYEA-AOXVFRMFSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C40H56O4
Molecular Weight 600.90 g/mol
Exact Mass 600.41786026 g/mol
Topological Polar Surface Area (TPSA) 58.90 Ų
XlogP 9.80

Synonyms

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Q63399481
(1R,2R,4S)-1-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,2R,4S)-2-Hydroxy-2,6,6-trimethyl-7-oxabicyclo[2.2.1]heptan-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,6,6-trimethyl-7-oxabicyclo[2.2.1]heptan-2-ol

2D Structure

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2D Structure of Cycloviolaxanthin

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 92.51% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 91.60% 91.11%
CHEMBL1937 Q92769 Histone deacetylase 2 88.46% 94.75%
CHEMBL241 Q14432 Phosphodiesterase 3A 86.39% 92.94%
CHEMBL1870 P28702 Retinoid X receptor beta 84.17% 95.00%
CHEMBL2061 P19793 Retinoid X receptor alpha 83.97% 91.67%
CHEMBL2004 P48443 Retinoid X receptor gamma 83.66% 100.00%
CHEMBL2996 Q05655 Protein kinase C delta 82.60% 97.79%
CHEMBL1994 P08235 Mineralocorticoid receptor 82.34% 100.00%
CHEMBL1806 P11388 DNA topoisomerase II alpha 81.98% 89.00%
CHEMBL299 P17252 Protein kinase C alpha 80.51% 98.03%

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.
Capsicum annuum

Cross-Links

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PubChem 15297484
LOTUS LTS0161575
wikiData Q63399481