Cyclobuxophylline K
| Internal ID | 1b98d73d-d686-4cd6-874a-8a9525897fe5 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (1S,3R,6S,8R,11S,12S,15E,16S)-6-(dimethylamino)-15-ethylidene-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-14-one |
| SMILES (Canonical) | CC=C1C(=O)CC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)N(C)C)C)C |
| SMILES (Isomeric) | C/C=C\1/C(=O)C[C@@]2([C@@]1(CC[C@]34[C@H]2CC[C@@H]5[C@]3(C4)CC[C@@H](C5(C)C)N(C)C)C)C |
| InChI | InChI=1S/C26H41NO/c1-8-17-18(28)15-24(5)20-10-9-19-22(2,3)21(27(6)7)11-12-25(19)16-26(20,25)14-13-23(17,24)4/h8,19-21H,9-16H2,1-7H3/b17-8-/t19-,20-,21-,23+,24-,25+,26-/m0/s1 |
| InChI Key | HHRXHLXZXPRKOE-WSYJSIOHSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C26H41NO |
| Molecular Weight | 383.60 g/mol |
| Exact Mass | 383.318814931 g/mol |
| Topological Polar Surface Area (TPSA) | 20.30 Ų |
| XlogP | 6.40 |
| CHEMBL1651048 |
| CHEBI:70429 |
| BDBM50335592 |
| Q27138767 |
| 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 |
|---|---|---|---|---|
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 93.92% | 94.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.24% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.08% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.73% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.01% | 97.25% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 89.32% | 96.77% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 86.76% | 94.78% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.67% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.84% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.66% | 97.09% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 82.63% | 90.08% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 82.03% | 90.24% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.50% | 93.00% |
| CHEMBL4072 | P07858 | Cathepsin B | 81.04% | 93.67% |
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 papillosa |
| Buxus sempervirens |
| PubChem | 50908834 |
| LOTUS | LTS0089529 |
| wikiData | Q27138767 |