(1R,8S,9S,10S)-5-ethyl-3,4,8-trihydroxy-11,11-dimethyl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadeca-2(7),3,5-trien-15-one
| Internal ID | 1449cbbe-a16d-446a-a699-636c0211372c |
| Taxonomy | Benzenoids > Phenanthrenes and derivatives |
| IUPAC Name | (1R,8S,9S,10S)-5-ethyl-3,4,8-trihydroxy-11,11-dimethyl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadeca-2(7),3,5-trien-15-one |
| SMILES (Canonical) | CCC1=CC2=C(C(=C1O)O)C34CCCC(C3C(C2O)OC4=O)(C)C |
| SMILES (Isomeric) | CCC1=CC2=C(C(=C1O)O)[C@@]34CCCC([C@@H]3[C@@H]([C@H]2O)OC4=O)(C)C |
| InChI | InChI=1S/C19H24O5/c1-4-9-8-10-11(14(22)12(9)20)19-7-5-6-18(2,3)16(19)15(13(10)21)24-17(19)23/h8,13,15-16,20-22H,4-7H2,1-3H3/t13-,15+,16-,19-/m0/s1 |
| InChI Key | AYSMCZZCSXVWLQ-YBKUAAOGSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H24O5 |
| Molecular Weight | 332.40 g/mol |
| Exact Mass | 332.16237386 g/mol |
| Topological Polar Surface Area (TPSA) | 87.00 Ų |
| XlogP | 3.10 |
| There are no found synonyms. |
![2D Structure of (1R,8S,9S,10S)-5-ethyl-3,4,8-trihydroxy-11,11-dimethyl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadeca-2(7),3,5-trien-15-one](https://plantaedb.com/storage/docs/compounds/2023/11/88f6a0b0-8570-11ee-95d4-8da9b1182b55.jpg "2D Structure of (1R,8S,9S,10S)-5-ethyl-3,4,8-trihydroxy-11,11-dimethyl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadeca-2(7),3,5-trien-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.74% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.41% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.02% | 98.95% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 93.74% | 96.61% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.07% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.47% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.73% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.38% | 94.45% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.51% | 90.71% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.46% | 92.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.18% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.74% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.79% | 94.73% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 85.83% | 96.38% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.61% | 99.23% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.60% | 94.75% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.33% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.26% | 95.89% |
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.
| Salvia rubescens |
| PubChem | 162993718 |
| LOTUS | LTS0081923 |
| wikiData | Q104921362 |