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Liliaxanthin

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 6b575af8-3f4e-4ae3-b427-4ecee71d30a6
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Tetraterpenoids > Carotenoids > Xanthophylls
IUPAC Name (2E,4E,6E,8E,10E,12E,14E,16E,18E)-19-[(3R,4S)-3,4-dihydroxy-2,6,6-trimethylcyclohexen-1-yl]-1-[(1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl]-4,8,13,17-tetramethylnonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one
SMILES (Canonical) CC1=C(C(CC(C1O)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC(=O)C2(CC(CC2(C)C)O)C)C)C
SMILES (Isomeric) CC1=C(C(C[C@@H]([C@@H]1O)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C(=O)[C@@]2(C[C@H](CC2(C)C)O)C)/C)/C
InChI InChI=1S/C40H56O4/c1-28(17-13-19-30(3)21-23-34-32(5)37(44)35(42)27-38(34,6)7)15-11-12-16-29(2)18-14-20-31(4)22-24-36(43)40(10)26-33(41)25-39(40,8)9/h11-24,33,35,37,41-42,44H,25-27H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,28-15+,29-16+,30-19+,31-20+/t33-,35-,37+,40-/m0/s1
InChI Key CLUNNEXDLNOYRX-DVURGGGQSA-N
Popularity 0 references 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) 77.80 Ų
XlogP 9.50

Synonyms

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Q63392359

2D Structure

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2D Structure of Liliaxanthin

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 94.19% 96.09%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 88.75% 95.50%
CHEMBL2581 P07339 Cathepsin D 87.43% 98.95%
CHEMBL1870 P28702 Retinoid X receptor beta 85.66% 95.00%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 84.10% 91.11%
CHEMBL2004 P48443 Retinoid X receptor gamma 83.52% 100.00%
CHEMBL1806 P11388 DNA topoisomerase II alpha 83.21% 89.00%
CHEMBL2061 P19793 Retinoid X receptor alpha 82.11% 91.67%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 80.84% 95.56%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 80.72% 91.07%
CHEMBL1994 P08235 Mineralocorticoid receptor 80.69% 100.00%

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.
Lilium lancifolium

Cross-Links

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PubChem 134724340
LOTUS LTS0173045
wikiData Q63392359