8'-Apoalloxanthin

Details

• Internal ID: cb291ec7-3941-4665-b01b-380000b97236
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Diterpenoids
• IUPAC Name: (2E,4E,6E,8E,10E,12E,14E)-17-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-2,6,11,15-tetramethylheptadeca-2,4,6,8,10,12,14-heptaen-16-ynal
• InChI: InChI=1S/C30H38O2/c1-23(12-8-9-13-24(2)15-11-17-26(4)22-31)14-10-16-25(3)18-19-29-27(5)20-28(32)21-30(29,6)7/h8-17,22,28,32H,20-21H2,1-7H3/b9-8+,14-10+,15-11+,23-12+,24-13+,25-16+,26-17+/t28-/m1/s1
• InChI Key: IKHXVHBELYIQOW-BDQJDLMXSA-N
• Popularity: 4 references in papers

Physical and Chemical Properties

• Molecular Formula: C₃₀H₃₈O₂
• Molecular Weight: 430.60 g/mol
• Exact Mass: 430.287180451 g/mol
• Topological Polar Surface Area (TPSA): 37.30 Ų
• XlogP: 7.80

Synonyms

• DTXSID401355363
• Q63408868

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	95.22%	96.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	90.71%	95.56%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	89.46%	91.11%
CHEMBL4005	P42336	PI3-kinase p110-alpha subunit	85.81%	97.47%
CHEMBL3492	P49721	Proteasome Macropain subunit	85.25%	90.24%
CHEMBL4208	P20618	Proteasome component C5	84.32%	90.00%
CHEMBL2581	P07339	Cathepsin D	84.03%	98.95%
CHEMBL1994	P08235	Mineralocorticoid receptor	83.12%	100.00%
CHEMBL1870	P28702	Retinoid X receptor beta	83.10%	95.00%
CHEMBL1806	P11388	DNA topoisomerase II alpha	81.73%	89.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	81.64%	86.33%
CHEMBL2004	P48443	Retinoid X receptor gamma	81.46%	100.00%
CHEMBL5608	Q16288	NT-3 growth factor receptor	81.37%	95.89%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 10550599
• LOTUS: LTS0233971
• wikiData: Q63408868