9-[1-(1,5-dimethylpiperidin-2-yl)ethyl]-10a,11b-dimethyl-2,3,4,4a,5,6,6a,6b,9,10,11,11a-dodecahydro-1H-benzo[a]fluorene-3,5-diol
Internal ID | 313e7636-5c6d-4693-b37a-52aa022b6248 |
Taxonomy | Organoheterocyclic compounds > Piperidines |
IUPAC Name | 9-[1-(1,5-dimethylpiperidin-2-yl)ethyl]-10a,11b-dimethyl-2,3,4,4a,5,6,6a,6b,9,10,11,11a-dodecahydro-1H-benzo[a]fluorene-3,5-diol |
SMILES (Canonical) | CC1CCC(N(C1)C)C(C)C2CC3(CC4C(C3C=C2)CC(C5C4(CCC(C5)O)C)O)C |
SMILES (Isomeric) | CC1CCC(N(C1)C)C(C)C2CC3(CC4C(C3C=C2)CC(C5C4(CCC(C5)O)C)O)C |
InChI | InChI=1S/C28H47NO2/c1-17-6-9-25(29(5)16-17)18(2)19-7-8-22-21-13-26(31)23-12-20(30)10-11-28(23,4)24(21)15-27(22,3)14-19/h7-8,17-26,30-31H,6,9-16H2,1-5H3 |
InChI Key | WMVFFRXSRDHDPV-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C28H47NO2 |
Molecular Weight | 429.70 g/mol |
Exact Mass | 429.360679742 g/mol |
Topological Polar Surface Area (TPSA) | 43.70 Ų |
XlogP | 5.80 |
There are no found synonyms. |
![2D Structure of 9-[1-(1,5-dimethylpiperidin-2-yl)ethyl]-10a,11b-dimethyl-2,3,4,4a,5,6,6a,6b,9,10,11,11a-dodecahydro-1H-benzo[a]fluorene-3,5-diol 2D Structure of 9-[1-(1,5-dimethylpiperidin-2-yl)ethyl]-10a,11b-dimethyl-2,3,4,4a,5,6,6a,6b,9,10,11,11a-dodecahydro-1H-benzo[a]fluorene-3,5-diol](https://plantaedb.com/storage/docs/compounds/2023/11/7cfb4210-8537-11ee-a82b-8def4cc549e9.jpg)
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 | 99.60% | 97.25% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.83% | 96.09% |
CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 96.33% | 95.58% |
CHEMBL238 | Q01959 | Dopamine transporter | 93.90% | 95.88% |
CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 91.69% | 98.46% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 90.41% | 96.77% |
CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 90.38% | 89.05% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.00% | 94.45% |
CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 89.29% | 92.86% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.18% | 82.69% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.82% | 90.17% |
CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.91% | 93.56% |
CHEMBL4227 | P25090 | Lipoxin A4 receptor | 87.78% | 100.00% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.67% | 100.00% |
CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 86.56% | 96.61% |
CHEMBL1871 | P10275 | Androgen Receptor | 86.32% | 96.43% |
CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 86.16% | 100.00% |
CHEMBL279 | P35968 | Vascular endothelial growth factor receptor 2 | 86.06% | 95.52% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.75% | 97.09% |
CHEMBL3045 | P05771 | Protein kinase C beta | 85.58% | 97.63% |
CHEMBL202 | P00374 | Dihydrofolate reductase | 85.56% | 89.92% |
CHEMBL268 | P43235 | Cathepsin K | 85.27% | 96.85% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.57% | 95.89% |
CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 83.32% | 89.62% |
CHEMBL2581 | P07339 | Cathepsin D | 83.18% | 98.95% |
CHEMBL237 | P41145 | Kappa opioid receptor | 82.81% | 98.10% |
CHEMBL5646 | Q6L5J4 | FML2_HUMAN | 82.52% | 100.00% |
CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.76% | 93.00% |
CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 81.73% | 98.33% |
CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 81.56% | 94.78% |
CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.34% | 89.50% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.26% | 95.56% |
CHEMBL299 | P17252 | Protein kinase C alpha | 81.10% | 98.03% |
CHEMBL2996 | Q05655 | Protein kinase C delta | 80.94% | 97.79% |
CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 80.20% | 91.03% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.11% | 89.00% |
CHEMBL2007625 | O75874 | Isocitrate dehydrogenase [NADP] cytoplasmic | 80.01% | 99.00% |
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.
Fritillaria imperialis |
PubChem | 162911344 |
LOTUS | LTS0254415 |
wikiData | Q104888846 |