(3R,16R)-11-hydroxy-7,16,22,26-tetramethoxy-8,14,14,19,25-pentamethyl-2,17-dioxaheptacyclo[16.12.0.03,16.04,13.05,10.020,29.023,28]triaconta-1(18),4,6,8,10,12,19,21,23(28),24,26,29-dodecaen-15-one
| Internal ID | 8b088808-5d6a-4518-ac2c-288fbe4dfae2 |
| Taxonomy | Benzenoids > Phenanthrenes and derivatives > Phenanthrols |
| IUPAC Name | (3R,16R)-11-hydroxy-7,16,22,26-tetramethoxy-8,14,14,19,25-pentamethyl-2,17-dioxaheptacyclo[16.12.0.03,16.04,13.05,10.020,29.023,28]triaconta-1(18),4,6,8,10,12,19,21,23(28),24,26,29-dodecaen-15-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C37H36O8/c1-17-10-23-25(15-29(17)41-7)32-26(16-27(23)38)36(4,5)35(39)37(43-9)34(32)44-31-14-21-20(19(3)33(31)45-37)12-30(42-8)24-11-18(2)28(40-6)13-22(21)24/h10-16,34,38H,1-9H3/t34-,37-/m1/s1 |
| InChI Key | BTWUONYKONENGB-ZLHGTEGGSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C37H36O8 |
| Molecular Weight | 608.70 g/mol |
| Exact Mass | 608.24101810 g/mol |
| Topological Polar Surface Area (TPSA) | 92.70 Ų |
| XlogP | 7.80 |
| There are no found synonyms. |
![2D Structure of (3R,16R)-11-hydroxy-7,16,22,26-tetramethoxy-8,14,14,19,25-pentamethyl-2,17-dioxaheptacyclo[16.12.0.03,16.04,13.05,10.020,29.023,28]triaconta-1(18),4,6,8,10,12,19,21,23(28),24,26,29-dodecaen-15-one](https://plantaedb.com/storage/docs/compounds/2023/11/35fa88b0-87f0-11ee-9c55-61ad1737582b.jpg "2D Structure of (3R,16R)-11-hydroxy-7,16,22,26-tetramethoxy-8,14,14,19,25-pentamethyl-2,17-dioxaheptacyclo[16.12.0.03,16.04,13.05,10.020,29.023,28]triaconta-1(18),4,6,8,10,12,19,21,23(28),24,26,29-dodecaen-15-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 | 99.25% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.66% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.84% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.35% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.39% | 99.23% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.26% | 91.49% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.34% | 94.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.41% | 85.14% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 89.33% | 91.79% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 88.30% | 83.82% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 88.26% | 82.38% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.88% | 92.94% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 87.50% | 93.99% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.42% | 86.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.28% | 92.62% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.21% | 94.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.65% | 95.89% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.13% | 99.15% |
| CHEMBL1871 | P10275 | Androgen Receptor | 82.63% | 96.43% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.92% | 98.75% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.82% | 90.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.80% | 94.73% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 80.54% | 94.42% |
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.
| Strophioblachia fimbricalyx |
| PubChem | 71746632 |
| LOTUS | LTS0100171 |
| wikiData | Q104945911 |