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Myxol

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 01969def-6d46-406a-8465-1ec1f62295fb
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Tetraterpenoids > Carotenoids > Xanthophylls
IUPAC Name (3S,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E)-25-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-2,6,10,14,19,23-hexamethylpentacosa-4,6,8,10,12,14,16,18,20,22,24-undecaene-2,3-diol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C40H56O3/c1-30(18-13-20-32(3)21-15-23-34(5)25-27-38(42)40(9,10)43)16-11-12-17-31(2)19-14-22-33(4)24-26-37-35(6)28-36(41)29-39(37,7)8/h11-27,36,38,41-43H,28-29H2,1-10H3/b12-11+,18-13+,19-14+,21-15+,26-24+,27-25+,30-16+,31-17+,32-20+,33-22+,34-23+/t36-,38+/m1/s1
InChI Key JJPMVSRTRMLHST-XDLIQHAKSA-N
Popularity 12 references in papers

Physical and Chemical Properties

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Molecular Formula C40H56O3
Molecular Weight 584.90 g/mol
Exact Mass 584.42294564 g/mol
Topological Polar Surface Area (TPSA) 60.70 Ų
XlogP 10.70

Synonyms

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31894-69-6
CHEBI:80177
DTXSID801346550
LMPR01070183
Q27149288
(3S,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E)-25-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-2,6,10,14,19,23-hexamethylpentacosa-4,6,8,10,12,14,16,18,20,22,24-undecaene-2,3-diol

2D Structure

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2D Structure of Myxol

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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 94.15% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.59% 96.09%
CHEMBL4040 P28482 MAP kinase ERK2 92.01% 83.82%
CHEMBL1870 P28702 Retinoid X receptor beta 88.30% 95.00%
CHEMBL3359 P21462 Formyl peptide receptor 1 87.91% 93.56%
CHEMBL1937 Q92769 Histone deacetylase 2 87.88% 94.75%
CHEMBL2004 P48443 Retinoid X receptor gamma 87.41% 100.00%
CHEMBL2581 P07339 Cathepsin D 86.47% 98.95%
CHEMBL2061 P19793 Retinoid X receptor alpha 86.26% 91.67%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 86.21% 95.56%
CHEMBL1293249 Q13887 Kruppel-like factor 5 85.33% 86.33%
CHEMBL1806 P11388 DNA topoisomerase II alpha 84.80% 89.00%
CHEMBL5608 Q16288 NT-3 growth factor receptor 84.20% 95.89%
CHEMBL3401 O75469 Pregnane X receptor 82.47% 94.73%
CHEMBL3137262 O60341 LSD1/CoREST complex 80.72% 97.09%
CHEMBL2335 P42785 Lysosomal Pro-X carboxypeptidase 80.68% 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.
There are no matching plants.

Cross-Links

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PubChem 16061290
LOTUS LTS0215482
wikiData Q27149288