9-[1-(1,5-dimethylpiperidin-2-yl)ethyl]-3-hydroxy-10,11b-dimethyl-2,3,4,4a,6,6a,6b,7,8,9,11,11a-dodecahydro-1H-benzo[a]fluoren-5-one
| Internal ID | d96f0516-8195-494c-89c8-9194399fda01 |
| Taxonomy | Organoheterocyclic compounds > Piperidines |
| IUPAC Name | 9-[1-(1,5-dimethylpiperidin-2-yl)ethyl]-3-hydroxy-10,11b-dimethyl-2,3,4,4a,6,6a,6b,7,8,9,11,11a-dodecahydro-1H-benzo[a]fluoren-5-one |
| SMILES (Canonical) | CC1CCC(N(C1)C)C(C)C2CCC3C4CC(=O)C5CC(CCC5(C4CC3=C2C)C)O |
| SMILES (Isomeric) | CC1CCC(N(C1)C)C(C)C2CCC3C4CC(=O)C5CC(CCC5(C4CC3=C2C)C)O |
| InChI | InChI=1S/C28H45NO2/c1-16-6-9-26(29(5)15-16)18(3)20-7-8-21-22(17(20)2)13-24-23(21)14-27(31)25-12-19(30)10-11-28(24,25)4/h16,18-21,23-26,30H,6-15H2,1-5H3 |
| InChI Key | ZQRCSCBRFOPBME-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H45NO2 |
| Molecular Weight | 427.70 g/mol |
| Exact Mass | 427.345029678 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 4.60 |
| There are no found synonyms. |
![2D Structure of 9-[1-(1,5-dimethylpiperidin-2-yl)ethyl]-3-hydroxy-10,11b-dimethyl-2,3,4,4a,6,6a,6b,7,8,9,11,11a-dodecahydro-1H-benzo[a]fluoren-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/49bc29c0-866d-11ee-b78c-b7c0149752e1.jpg "2D Structure of 9-[1-(1,5-dimethylpiperidin-2-yl)ethyl]-3-hydroxy-10,11b-dimethyl-2,3,4,4a,6,6a,6b,7,8,9,11,11a-dodecahydro-1H-benzo[a]fluoren-5-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 | 97.38% | 97.25% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 97.13% | 95.58% |
| CHEMBL4072 | P07858 | Cathepsin B | 97.06% | 93.67% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.24% | 98.95% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 92.98% | 96.77% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.03% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 91.99% | 90.71% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 91.38% | 93.40% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.38% | 96.09% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 90.76% | 96.47% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 90.10% | 98.46% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 89.64% | 93.00% |
| CHEMBL238 | Q01959 | Dopamine transporter | 89.04% | 95.88% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.66% | 97.09% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 87.68% | 95.92% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.27% | 95.89% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.21% | 90.17% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 86.66% | 90.08% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 86.61% | 100.00% |
| CHEMBL3837 | P07711 | Cathepsin L | 85.86% | 96.61% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 85.62% | 89.05% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.62% | 93.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.46% | 94.75% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.23% | 100.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.54% | 85.14% |
| CHEMBL1075317 | P61964 | WD repeat-containing protein 5 | 83.47% | 96.33% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 83.23% | 91.03% |
| CHEMBL1871 | P10275 | Androgen Receptor | 82.68% | 96.43% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.54% | 89.00% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 82.48% | 92.86% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 82.12% | 96.38% |
| CHEMBL4506 | Q96EB6 | NAD-dependent deacetylase sirtuin 1 | 81.76% | 88.33% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 81.76% | 98.75% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 80.71% | 94.78% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 80.67% | 86.00% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 80.12% | 85.00% |
| CHEMBL4073 | P09237 | Matrix metalloproteinase 7 | 80.06% | 97.56% |
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.
| Fritillaria imperialis |
| PubChem | 162922853 |
| LOTUS | LTS0038769 |
| wikiData | Q104888840 |