(20-Hydroxy-2,6,6,10,14,23-hexamethyl-18-sulfooxy-21-hexacyclo[12.11.0.02,11.05,10.015,23.017,22]pentacosa-17,19,21-trienyl) hydrogen sulfate
| Internal ID | 2346096b-1e06-4686-8868-7641e3f898be |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesterterpenoids > Scalarane sesterterpenoids |
| IUPAC Name | (20-hydroxy-2,6,6,10,14,23-hexamethyl-18-sulfooxy-21-hexacyclo[12.11.0.02,11.05,10.015,23.017,22]pentacosa-17,19,21-trienyl) hydrogen sulfate |
| SMILES (Canonical) | CC1(CCCC2(C1CCC3(C2CCC4(C3CCC5(C4CC6=C(C=C(C(=C65)OS(=O)(=O)O)O)OS(=O)(=O)O)C)C)C)C)C |
| SMILES (Isomeric) | CC1(CCCC2(C1CCC3(C2CCC4(C3CCC5(C4CC6=C(C=C(C(=C65)OS(=O)(=O)O)O)OS(=O)(=O)O)C)C)C)C)C |
| InChI | InChI=1S/C31H46O9S2/c1-27(2)11-7-12-28(3)21(27)8-13-29(4)22(28)9-14-30(5)23(29)10-15-31(6)24(30)16-18-20(39-41(33,34)35)17-19(32)26(25(18)31)40-42(36,37)38/h17,21-24,32H,7-16H2,1-6H3,(H,33,34,35)(H,36,37,38) |
| InChI Key | MAGSVXHKGFRXIN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C31H46O9S2 |
| Molecular Weight | 626.80 g/mol |
| Exact Mass | 626.25832539 g/mol |
| Topological Polar Surface Area (TPSA) | 164.00 Ų |
| XlogP | 8.40 |
| There are no found synonyms. |
![2D Structure of (20-Hydroxy-2,6,6,10,14,23-hexamethyl-18-sulfooxy-21-hexacyclo[12.11.0.02,11.05,10.015,23.017,22]pentacosa-17,19,21-trienyl) hydrogen sulfate](https://plantaedb.com/storage/docs/compounds/2023/11/29a66700-8791-11ee-ac3e-cf3f9f11f136.jpg "2D Structure of (20-Hydroxy-2,6,6,10,14,23-hexamethyl-18-sulfooxy-21-hexacyclo[12.11.0.02,11.05,10.015,23.017,22]pentacosa-17,19,21-trienyl) hydrogen sulfate")
| 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 | 93.41% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.98% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.51% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.98% | 96.09% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 91.62% | 99.18% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.57% | 95.56% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 91.30% | 92.94% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 90.39% | 91.03% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.77% | 94.75% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.37% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.99% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.60% | 86.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.29% | 91.19% |
| CHEMBL3085 | P43003 | Excitatory amino acid transporter 1 | 85.16% | 94.67% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 85.05% | 93.99% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.21% | 94.45% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.55% | 93.03% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.97% | 82.69% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.82% | 93.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.73% | 89.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.52% | 99.15% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.38% | 90.71% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 80.95% | 100.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.71% | 93.40% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 80.47% | 95.69% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.33% | 94.00% |
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.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 74318538 |
| LOTUS | LTS0069453 |
| wikiData | Q105160325 |