(11S)-5-hydroxy-6,12,12-trimethyltricyclo[9.4.0.03,8]pentadeca-1,3(8),4,6-tetraen-9-one
| Internal ID | 7d8129ab-3739-4621-bec1-2fc6147a21b1 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Aryl ketones > Aryl alkyl ketones |
| IUPAC Name | (11S)-5-hydroxy-6,12,12-trimethyltricyclo[9.4.0.03,8]pentadeca-1,3(8),4,6-tetraen-9-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H22O2/c1-11-7-14-13(9-16(11)19)8-12-5-4-6-18(2,3)15(12)10-17(14)20/h7-9,15,19H,4-6,10H2,1-3H3/t15-/m1/s1 |
| InChI Key | DRRALZQVEDXTQU-OAHLLOKOSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C18H22O2 |
| Molecular Weight | 270.40 g/mol |
| Exact Mass | 270.161979940 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 4.10 |
| There are no found synonyms. |
![2D Structure of (11S)-5-hydroxy-6,12,12-trimethyltricyclo[9.4.0.03,8]pentadeca-1,3(8),4,6-tetraen-9-one](https://plantaedb.com/storage/docs/compounds/2023/11/11s-5-hydroxy-61212-trimethyltricyclo940038pentadeca-13846-tetraen-9-one.jpg "2D Structure of (11S)-5-hydroxy-6,12,12-trimethyltricyclo[9.4.0.03,8]pentadeca-1,3(8),4,6-tetraen-9-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 | 98.86% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.81% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.71% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.62% | 95.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 92.65% | 93.40% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.81% | 85.14% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 90.26% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.70% | 96.09% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 87.27% | 93.03% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.14% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.22% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.02% | 86.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.45% | 90.71% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.14% | 92.94% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.04% | 99.15% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 83.79% | 85.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.69% | 89.00% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 81.06% | 96.25% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.39% | 90.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.03% | 94.00% |
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.
| Cnidoscolus quercifolius |
| PubChem | 102506155 |
| LOTUS | LTS0097625 |
| wikiData | Q104987592 |