(1S,16S,18R,20R,21S,22S,23R)-13-ethoxy-20-(hydroxymethyl)-17,19,24-trioxahexacyclo[14.8.1.02,7.08,25.09,14.018,23]pentacosa-2,4,6,8(25),9(14),10,12-heptaene-3,4,5,11,21,22-hexol
| Internal ID | 84461bb2-29a9-40d0-a746-676ff83f2007 |
| Taxonomy | Benzenoids > Fluorenes |
| IUPAC Name | (1S,16S,18R,20R,21S,22S,23R)-13-ethoxy-20-(hydroxymethyl)-17,19,24-trioxahexacyclo[14.8.1.02,7.08,25.09,14.018,23]pentacosa-2,4,6,8(25),9(14),10,12-heptaene-3,4,5,11,21,22-hexol |
| SMILES (Canonical) | CCOC1=CC(=CC2=C1CC3C4=C2C5=CC(=C(C(=C5C4OC6C(C(C(OC6O3)CO)O)O)O)O)O)O |
| SMILES (Isomeric) | CCOC1=CC(=CC2=C1C[C@H]3C4=C2C5=CC(=C(C(=C5[C@H]4O[C@@H]6[C@H]([C@@H]([C@H](O[C@H]6O3)CO)O)O)O)O)O)O |
| InChI | InChI=1S/C25H26O11/c1-2-33-13-4-8(27)3-10-9(13)6-14-18-16(10)11-5-12(28)19(29)21(31)17(11)23(18)36-24-22(32)20(30)15(7-26)35-25(24)34-14/h3-5,14-15,20,22-32H,2,6-7H2,1H3/t14-,15+,20+,22-,23+,24+,25+/m0/s1 |
| InChI Key | AZBFZYRHFHYYBP-FUIQVYOHSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C25H26O11 |
| Molecular Weight | 502.50 g/mol |
| Exact Mass | 502.14751164 g/mol |
| Topological Polar Surface Area (TPSA) | 179.00 Ų |
| XlogP | -0.20 |
| There are no found synonyms. |
![2D Structure of (1S,16S,18R,20R,21S,22S,23R)-13-ethoxy-20-(hydroxymethyl)-17,19,24-trioxahexacyclo[14.8.1.02,7.08,25.09,14.018,23]pentacosa-2,4,6,8(25),9(14),10,12-heptaene-3,4,5,11,21,22-hexol](https://plantaedb.com/storage/docs/compounds/2023/11/51088980-8258-11ee-ac3b-b36bdb2279fd.jpg "2D Structure of (1S,16S,18R,20R,21S,22S,23R)-13-ethoxy-20-(hydroxymethyl)-17,19,24-trioxahexacyclo[14.8.1.02,7.08,25.09,14.018,23]pentacosa-2,4,6,8(25),9(14),10,12-heptaene-3,4,5,11,21,22-hexol")
| 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 | 99.08% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.71% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.82% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.81% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.63% | 97.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.47% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.20% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.87% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.28% | 90.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.84% | 92.94% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 88.78% | 95.78% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.80% | 94.73% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 87.06% | 82.50% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.97% | 90.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.18% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.08% | 86.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.87% | 100.00% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 82.62% | 96.21% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.57% | 90.17% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.35% | 95.89% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.91% | 96.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.58% | 92.62% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 80.35% | 80.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.31% | 95.56% |
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 | 11670587 |
| LOTUS | LTS0085484 |
| wikiData | Q104921580 |