Latoxanthin

Details

• Internal ID: 621a0a1d-e663-44eb-b335-91a46beab2fc
• 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-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,6,6-trimethylcyclohexane-1,2,4-triol
• SMILES (Canonical): CC(=CC=CC=C(C)C=CC=C(C)C=CC12C(CC(CC1(O2)C)O)(C)C)C=CC=C(C)C=CC3(C(CC(CC3(C)O)O)(C)C)O
• SMILES (Isomeric): C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\[C@]12[C@](O1)(C[C@H](CC2(C)C)O)C)/C=C/C=C(\C)/C=C/[C@@]3([C@](C[C@H](CC3(C)C)O)(C)O)O
• InChI: InChI=1S/C40H58O5/c1-29(17-13-19-31(3)21-23-39(44)35(5,6)25-33(41)27-37(39,9)43)15-11-12-16-30(2)18-14-20-32(4)22-24-40-36(7,8)26-34(42)28-38(40,10)45-40/h11-24,33-34,41-44H,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: IHFACKVTKFGBBA-UVAHLJQVSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₄₀H₅₈O₅
• Molecular Weight: 618.90 g/mol
• Exact Mass: 618.42842495 g/mol
• Topological Polar Surface Area (TPSA): 93.40 Ų
• XlogP: 8.80

Synonyms

• IHFACKVTKFGBBA-UVAHLJQVSA-N

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	93.41%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	93.38%	91.11%
CHEMBL1806	P11388	DNA topoisomerase II alpha	86.48%	89.00%
CHEMBL4040	P28482	MAP kinase ERK2	85.41%	83.82%
CHEMBL2061	P19793	Retinoid X receptor alpha	84.95%	91.67%
CHEMBL1870	P28702	Retinoid X receptor beta	84.44%	95.00%
CHEMBL241	Q14432	Phosphodiesterase 3A	84.26%	92.94%
CHEMBL221	P23219	Cyclooxygenase-1	83.84%	90.17%
CHEMBL2004	P48443	Retinoid X receptor gamma	83.51%	100.00%
CHEMBL1994	P08235	Mineralocorticoid receptor	82.32%	100.00%
CHEMBL5608	Q16288	NT-3 growth factor receptor	81.05%	95.89%
CHEMBL259	P32245	Melanocortin receptor 4	80.48%	95.38%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	80.01%	96.95%

Plants that contains it

• Capsicum annuum
• Rosa foetida

Cross-Links

• PubChem: 102150983
• LOTUS: LTS0150126
• wikiData: Q104390412