6-Hydroxy-3-[24-hydroxy-3,7,12,16,20,24-hexamethyl-23-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxypentacosa-1,3,5,7,9,11,13,15,17,19-decaenyl]-2,4,4-trimethylcyclohex-2-en-1-one
| Internal ID | f193eb45-be7d-47bb-b493-ece4de454ebc |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Tetraterpenoids > Carotenoids > Xanthophylls |
| IUPAC Name | 6-hydroxy-3-[24-hydroxy-3,7,12,16,20,24-hexamethyl-23-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxypentacosa-1,3,5,7,9,11,13,15,17,19-decaenyl]-2,4,4-trimethylcyclohex-2-en-1-one |
| SMILES (Canonical) | CC1C(C(C(C(O1)OC(CCC(=CC=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(C(=O)C(CC2(C)C)O)C)C)C)C)C(C)(C)O)O)O)O |
| SMILES (Isomeric) | CC1C(C(C(C(O1)OC(CCC(=CC=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(C(=O)C(CC2(C)C)O)C)C)C)C)C(C)(C)O)O)O)O |
| InChI | InChI=1S/C46H66O8/c1-30(17-12-13-18-31(2)20-15-23-33(4)25-27-37-35(6)40(48)38(47)29-45(37,8)9)19-14-21-32(3)22-16-24-34(5)26-28-39(46(10,11)52)54-44-43(51)42(50)41(49)36(7)53-44/h12-25,27,36,38-39,41-44,47,49-52H,26,28-29H2,1-11H3 |
| InChI Key | FYKICBMSBYHBDI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C46H66O8 |
| Molecular Weight | 747.00 g/mol |
| Exact Mass | 746.47576906 g/mol |
| Topological Polar Surface Area (TPSA) | 137.00 Ų |
| XlogP | 9.50 |
| There are no found synonyms. |
![2D Structure of 6-Hydroxy-3-[24-hydroxy-3,7,12,16,20,24-hexamethyl-23-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxypentacosa-1,3,5,7,9,11,13,15,17,19-decaenyl]-2,4,4-trimethylcyclohex-2-en-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/0b7edda0-8536-11ee-a30b-bf67c23a62a4.jpg "2D Structure of 6-Hydroxy-3-[24-hydroxy-3,7,12,16,20,24-hexamethyl-23-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxypentacosa-1,3,5,7,9,11,13,15,17,19-decaenyl]-2,4,4-trimethylcyclohex-2-en-1-one")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
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 | 98.68% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 95.16% | 94.73% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.00% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.84% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.01% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.50% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.45% | 86.33% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 91.05% | 92.94% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 88.80% | 96.47% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 87.54% | 97.47% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 87.13% | 96.61% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.04% | 95.56% |
| CHEMBL1870 | P28702 | Retinoid X receptor beta | 86.71% | 95.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 86.52% | 89.34% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 85.88% | 97.36% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.63% | 91.07% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.02% | 95.89% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.01% | 94.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.66% | 95.89% |
| CHEMBL2061 | P19793 | Retinoid X receptor alpha | 83.40% | 91.67% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.58% | 99.23% |
| CHEMBL2004 | P48443 | Retinoid X receptor gamma | 82.53% | 100.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.14% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.11% | 90.71% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.09% | 96.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.89% | 97.14% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.83% | 99.17% |
| CHEMBL3572 | P11597 | Cholesteryl ester transfer protein | 80.28% | 92.67% |
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.
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| There are no matching plants. |
| PubChem | 162951428 |
| LOTUS | LTS0095577 |
| wikiData | Q105105804 |