[(1R,2S,5S,13S,14R,17R,18S,21S,26S,28S)-10-hydroxy-1,5,14,18,22,22,26-heptamethyl-27-oxaheptacyclo[15.13.0.02,14.05,13.06,11.018,28.021,26]triaconta-6,8,10-trien-7-yl] hydrogen sulfate
| Internal ID | 498d6a04-61a3-4ab5-ba39-abfdd6920c33 |
| Taxonomy | Benzenoids > Fluorenes |
| IUPAC Name | [(1R,2S,5S,13S,14R,17R,18S,21S,26S,28S)-10-hydroxy-1,5,14,18,22,22,26-heptamethyl-27-oxaheptacyclo[15.13.0.02,14.05,13.06,11.018,28.021,26]triaconta-6,8,10-trien-7-yl] hydrogen sulfate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C36H54O6S/c1-31(2)15-8-16-36(7)25(31)11-18-34(5)27-12-17-33(4)26(32(27,3)20-14-29(34)41-36)13-19-35(6)28(33)21-22-23(37)9-10-24(30(22)35)42-43(38,39)40/h9-10,25-29,37H,8,11-21H2,1-7H3,(H,38,39,40)/t25-,26+,27+,28-,29-,32+,33+,34-,35-,36-/m0/s1 |
| InChI Key | IFUVGBNBURLQLI-HNFVNZPHSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C36H54O6S |
| Molecular Weight | 614.90 g/mol |
| Exact Mass | 614.36411061 g/mol |
| Topological Polar Surface Area (TPSA) | 101.00 Ų |
| XlogP | 9.30 |
| There are no found synonyms. |
![2D Structure of [(1R,2S,5S,13S,14R,17R,18S,21S,26S,28S)-10-hydroxy-1,5,14,18,22,22,26-heptamethyl-27-oxaheptacyclo[15.13.0.02,14.05,13.06,11.018,28.021,26]triaconta-6,8,10-trien-7-yl] hydrogen sulfate](https://plantaedb.com/storage/docs/compounds/2023/11/b7131620-8756-11ee-a2c8-09aaa67513fe.jpg "2D Structure of [(1R,2S,5S,13S,14R,17R,18S,21S,26S,28S)-10-hydroxy-1,5,14,18,22,22,26-heptamethyl-27-oxaheptacyclo[15.13.0.02,14.05,13.06,11.018,28.021,26]triaconta-6,8,10-trien-7-yl] 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.91% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.67% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.76% | 95.89% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.65% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.61% | 86.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.26% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.85% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.32% | 96.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 86.87% | 93.99% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 86.60% | 91.49% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 86.32% | 91.03% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.72% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.66% | 94.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.50% | 94.45% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.39% | 94.75% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.30% | 94.73% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.86% | 97.14% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.75% | 92.94% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.51% | 91.19% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.40% | 89.00% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 82.59% | 99.18% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.33% | 93.56% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.03% | 95.50% |
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.
| Casearia sylvestris |
| PubChem | 10032033 |
| LOTUS | LTS0037630 |
| wikiData | Q103817885 |