19'-Hydroxyfucoxanthin

Details

• Internal ID: 5f90f1b9-8339-47c0-a87e-176dcfe8983e
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Tetraterpenoids > Carotenoids > Xanthophylls
• IUPAC Name: [(1S,3R)-3-hydroxy-4-[(3Z,5E,7E,9E,11E,13E,15E)-3-(hydroxymethyl)-18-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-7,12,16-trimethyl-17-oxooctadeca-1,3,5,7,9,11,13,15-octaenylidene]-3,5,5-trimethylcyclohexyl] acetate
• InChI: InChI=1S/C42H58O7/c1-29(17-13-19-31(3)36(46)27-42-39(7,8)23-34(45)24-41(42,10)49-42)15-11-12-16-30(2)18-14-20-33(28-43)21-22-37-38(5,6)25-35(48-32(4)44)26-40(37,9)47/h11-21,34-35,43,45,47H,23-28H2,1-10H3/b12-11+,17-13+,18-14+,29-15+,30-16+,31-19+,33-20-/t22?,34-,35-,40+,41+,42-/m0/s1
• InChI Key: AQLRNQCFQNNMJA-YCEBJHGKSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₄₂H₅₈O₇
• Molecular Weight: 674.90 g/mol
• Exact Mass: 674.41825418 g/mol
• Topological Polar Surface Area (TPSA): 117.00 Ų
• XlogP: 6.80

Synonyms

There are no found synonyms.

2D Structure

ADMET Properties (via admetSAR 2)

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

Targets

Proven Targets:

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	98.63%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	96.90%	91.11%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	91.34%	94.45%
CHEMBL1806	P11388	DNA topoisomerase II alpha	89.87%	89.00%
CHEMBL2581	P07339	Cathepsin D	89.65%	98.95%
CHEMBL1994	P08235	Mineralocorticoid receptor	85.62%	100.00%
CHEMBL2007	P16234	Platelet-derived growth factor receptor alpha	84.86%	91.07%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	84.83%	95.56%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 162939689
• LOTUS: LTS0215165
• wikiData: Q104916922