(1S,11R,20R)-1,8,11,15,19,19-hexamethyl-10-oxapentacyclo[12.8.0.02,11.04,9.015,20]docosa-4(9),5,7-triene-6,18-diol
| Internal ID | 22140aeb-c624-44b9-bffc-3dee8d39bc24 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthenes |
| IUPAC Name | (1S,11R,20R)-1,8,11,15,19,19-hexamethyl-10-oxapentacyclo[12.8.0.02,11.04,9.015,20]docosa-4(9),5,7-triene-6,18-diol |
| SMILES (Canonical) | CC1=CC(=CC2=C1OC3(CCC4C5(CCC(C(C5CCC4(C3C2)C)(C)C)O)C)C)O |
| SMILES (Isomeric) | CC1=CC(=CC2=C1O[C@@]3(CCC4[C@@](C3C2)(CC[C@@H]5C4(CCC(C5(C)C)O)C)C)C)O |
| InChI | InChI=1S/C27H40O3/c1-16-13-18(28)14-17-15-21-26(5)10-7-19-24(2,3)22(29)9-11-25(19,4)20(26)8-12-27(21,6)30-23(16)17/h13-14,19-22,28-29H,7-12,15H2,1-6H3/t19-,20?,21?,22?,25?,26-,27+/m0/s1 |
| InChI Key | LRMHPGVONLYGQD-YCXVYMPWSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H40O3 |
| Molecular Weight | 412.60 g/mol |
| Exact Mass | 412.29774513 g/mol |
| Topological Polar Surface Area (TPSA) | 49.70 Ų |
| XlogP | 6.70 |
| There are no found synonyms. |
![2D Structure of (1S,11R,20R)-1,8,11,15,19,19-hexamethyl-10-oxapentacyclo[12.8.0.02,11.04,9.015,20]docosa-4(9),5,7-triene-6,18-diol](https://plantaedb.com/storage/docs/compounds/2023/11/02a7e750-8584-11ee-b257-153cb3ff781b.jpg "2D Structure of (1S,11R,20R)-1,8,11,15,19,19-hexamethyl-10-oxapentacyclo[12.8.0.02,11.04,9.015,20]docosa-4(9),5,7-triene-6,18-diol")
| 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 | 98.13% | 91.11% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 89.14% | 95.58% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.88% | 94.45% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 87.90% | 95.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.09% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.29% | 100.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.43% | 92.94% |
| CHEMBL236 | P41143 | Delta opioid receptor | 85.18% | 99.35% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.97% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.78% | 97.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.77% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.49% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.33% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.15% | 98.95% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.81% | 95.89% |
| CHEMBL233 | P35372 | Mu opioid receptor | 82.74% | 97.93% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 81.97% | 91.79% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 81.36% | 90.24% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.45% | 96.09% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 80.43% | 98.35% |
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 | 163185499 |
| LOTUS | LTS0052890 |
| wikiData | Q105156225 |