(2S)-4-hydroxy-5,5-dimethyl-2-propan-2-yl-2,3-dihydrocyclopenta[b]naphthalene-1,6-dione
| Internal ID | 54581050-0782-4449-9ecc-66eef71239c9 |
| Taxonomy | Benzenoids > Indanes > Indanones |
| IUPAC Name | (2S)-4-hydroxy-5,5-dimethyl-2-propan-2-yl-2,3-dihydrocyclopenta[b]naphthalene-1,6-dione |
| SMILES (Canonical) | CC(C)C1CC2=C(C1=O)C=C3C=CC(=O)C(C3=C2O)(C)C |
| SMILES (Isomeric) | CC(C)[C@@H]1CC2=C(C1=O)C=C3C=CC(=O)C(C3=C2O)(C)C |
| InChI | InChI=1S/C18H20O3/c1-9(2)11-8-13-12(16(11)20)7-10-5-6-14(19)18(3,4)15(10)17(13)21/h5-7,9,11,21H,8H2,1-4H3/t11-/m0/s1 |
| InChI Key | DUWFJXFAVGOWSZ-NSHDSACASA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H20O3 |
| Molecular Weight | 284.30 g/mol |
| Exact Mass | 284.14124450 g/mol |
| Topological Polar Surface Area (TPSA) | 54.40 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
![2D Structure of (2S)-4-hydroxy-5,5-dimethyl-2-propan-2-yl-2,3-dihydrocyclopenta[b]naphthalene-1,6-dione](https://plantaedb.com/storage/docs/compounds/2023/11/2s-4-hydroxy-55-dimethyl-2-propan-2-yl-23-dihydrocyclopentabnaphthalene-16-dione.jpg "2D Structure of (2S)-4-hydroxy-5,5-dimethyl-2-propan-2-yl-2,3-dihydrocyclopenta[b]naphthalene-1,6-dione")
| 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 | 97.89% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.52% | 98.95% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 91.46% | 90.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.20% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.95% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.04% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.97% | 89.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 86.78% | 93.40% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.31% | 97.25% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.22% | 98.75% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 85.17% | 85.11% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.18% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.67% | 97.09% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.17% | 93.03% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.34% | 99.15% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.90% | 93.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.61% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.54% | 86.33% |
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.
| Amentotaxus formosana |
| PubChem | 12040942 |
| LOTUS | LTS0223387 |
| wikiData | Q104667469 |