Spirofornabuxine
| Internal ID | 5e2ea7f9-caa0-4ebb-9858-e4cf76ea303b |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Cyclic ketones |
| IUPAC Name | (2'S,4'S,6'S,9'R)-6'-ethyl-2,2,9'-trimethyl-3-(methylamino)spiro[cyclopentane-1,14'-tetracyclo[8.5.0.02,4.04,9]pentadeca-1(15),10,12-triene]-7'-one |
| SMILES (Canonical) | CCC1CC23CC2C4=CC5(CCC(C5(C)C)NC)C=CC=C4C3(CC1=O)C |
| SMILES (Isomeric) | CC[C@H]1C[C@@]23C[C@@H]2C4=CC5(CCC(C5(C)C)NC)C=CC=C4[C@@]3(CC1=O)C |
| InChI | InChI=1S/C25H35NO/c1-6-16-12-25-14-19(25)17-13-24(11-9-21(26-5)22(24,2)3)10-7-8-18(17)23(25,4)15-20(16)27/h7-8,10,13,16,19,21,26H,6,9,11-12,14-15H2,1-5H3/t16-,19+,21?,23-,24?,25+/m0/s1 |
| InChI Key | DAQJYUCPSHWKIR-IBCHWLJGSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C25H35NO |
| Molecular Weight | 365.60 g/mol |
| Exact Mass | 365.271864740 g/mol |
| Topological Polar Surface Area (TPSA) | 29.10 Ų |
| XlogP | 4.50 |
| There are no found synonyms. |
| 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 | 98.79% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.37% | 96.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 93.13% | 96.77% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 92.32% | 82.69% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.78% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.56% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.76% | 95.56% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 87.49% | 83.82% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 87.13% | 98.03% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.90% | 98.95% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 86.11% | 98.59% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.55% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.98% | 95.89% |
| CHEMBL2916 | O14746 | Telomerase reverse transcriptase | 81.73% | 90.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 81.46% | 94.80% |
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.
| Buxus sempervirens |
| PubChem | 101701610 |
| LOTUS | LTS0044179 |
| wikiData | Q104973863 |