(1R,12S,13S,15R)-1-ethenyl-13-hydroxy-15-(7-hydroxy-2,8-dimethyl-9,10-dihydrophenanthren-4-yl)-6-methoxy-7,13-dimethyltetracyclo[10.2.2.02,11.03,8]hexadeca-2(11),3(8),4,6-tetraen-14-one
| Internal ID | e8d5faca-33ca-435f-9c43-8c59fbe82686 |
| Taxonomy | Benzenoids > Phenanthrenes and derivatives > Hydrophenanthrenes |
| IUPAC Name | (1R,12S,13S,15R)-1-ethenyl-13-hydroxy-15-(7-hydroxy-2,8-dimethyl-9,10-dihydrophenanthren-4-yl)-6-methoxy-7,13-dimethyltetracyclo[10.2.2.02,11.03,8]hexadeca-2(11),3(8),4,6-tetraen-14-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C37H38O4/c1-7-37-30(28-17-19(2)16-22-8-9-23-20(3)31(38)14-12-25(23)33(22)28)18-29(36(5,40)35(37)39)27-11-10-24-21(4)32(41-6)15-13-26(24)34(27)37/h7,12-17,29-30,38,40H,1,8-11,18H2,2-6H3/t29-,30+,36-,37+/m0/s1 |
| InChI Key | GDXAIWGJMBCRCI-MYYHXLQYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C37H38O4 |
| Molecular Weight | 546.70 g/mol |
| Exact Mass | 546.27700969 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 6.40 |
| There are no found synonyms. |
![2D Structure of (1R,12S,13S,15R)-1-ethenyl-13-hydroxy-15-(7-hydroxy-2,8-dimethyl-9,10-dihydrophenanthren-4-yl)-6-methoxy-7,13-dimethyltetracyclo[10.2.2.02,11.03,8]hexadeca-2(11),3(8),4,6-tetraen-14-one](https://plantaedb.com/storage/docs/compounds/2023/11/dfbb3c20-853b-11ee-89df-6901d56c55a5.jpg "2D Structure of (1R,12S,13S,15R)-1-ethenyl-13-hydroxy-15-(7-hydroxy-2,8-dimethyl-9,10-dihydrophenanthren-4-yl)-6-methoxy-7,13-dimethyltetracyclo[10.2.2.02,11.03,8]hexadeca-2(11),3(8),4,6-tetraen-14-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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.97% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.66% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.07% | 95.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 95.64% | 93.40% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.53% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.11% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.86% | 98.95% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 90.32% | 91.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.21% | 94.45% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.07% | 91.19% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.00% | 92.94% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.19% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.17% | 95.89% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.79% | 93.03% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 85.71% | 96.21% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.49% | 90.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 85.04% | 91.03% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.92% | 100.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.28% | 91.07% |
| CHEMBL2002 | P12268 | Inosine-5'-monophosphate dehydrogenase 2 | 83.65% | 98.21% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 83.10% | 98.35% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.40% | 99.17% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 82.03% | 96.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.01% | 94.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.79% | 97.09% |
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.
| Juncus acutus |
| PubChem | 162851131 |
| LOTUS | LTS0078123 |
| wikiData | Q105007005 |