(1R,9R,10R,13S)-7-hydroxy-5,9,13-trimethyltetracyclo[11.2.1.01,10.04,9]hexadeca-4,7,14-trien-6-one
| Internal ID | 003db702-ffa6-41f1-bcdd-00a7a729152b |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Cyclic ketones |
| IUPAC Name | (1R,9R,10R,13S)-7-hydroxy-5,9,13-trimethyltetracyclo[11.2.1.01,10.04,9]hexadeca-4,7,14-trien-6-one |
| SMILES (Canonical) | CC1=C2CCC34CC(CCC3C2(C=C(C1=O)O)C)(C=C4)C |
| SMILES (Isomeric) | CC1=C2CC[C@]34C[C@](CC[C@H]3[C@@]2(C=C(C1=O)O)C)(C=C4)C |
| InChI | InChI=1S/C19H24O2/c1-12-13-4-7-19-9-8-17(2,11-19)6-5-15(19)18(13,3)10-14(20)16(12)21/h8-10,15,20H,4-7,11H2,1-3H3/t15-,17+,18+,19-/m0/s1 |
| InChI Key | SUALLALKHVDKAE-AITUJVMLSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H24O2 |
| Molecular Weight | 284.40 g/mol |
| Exact Mass | 284.177630004 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 4.70 |
| There are no found synonyms. |
![2D Structure of (1R,9R,10R,13S)-7-hydroxy-5,9,13-trimethyltetracyclo[11.2.1.01,10.04,9]hexadeca-4,7,14-trien-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/1r9r10r13s-7-hydroxy-5913-trimethyltetracyclo11210110049hexadeca-4714-trien-6-one.jpg "2D Structure of (1R,9R,10R,13S)-7-hydroxy-5,9,13-trimethyltetracyclo[11.2.1.01,10.04,9]hexadeca-4,7,14-trien-6-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 | 94.76% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.03% | 95.56% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 92.49% | 83.82% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 91.98% | 94.75% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.94% | 100.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 88.12% | 93.03% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.35% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.46% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.26% | 95.89% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 83.63% | 95.38% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.83% | 94.45% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 82.77% | 91.38% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.78% | 96.09% |
| CHEMBL1871 | P10275 | Androgen Receptor | 81.68% | 96.43% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.06% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.27% | 97.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.06% | 93.40% |
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.
| Excoecaria parvifolia |
| Pseudodictamnus africanus |
| PubChem | 163034282 |
| LOTUS | LTS0106862 |
| wikiData | Q105260737 |