3-Deoxo-4b-deoxypaxilline
| Internal ID | bcbc42fa-4e78-4c28-b8f7-223267712d10 |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans |
| IUPAC Name | 2-[(1S,2S,5S,7S,11R,14S)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.02,11.05,10.016,24.017,22]tetracosa-9,16(24),17,19,21-pentaen-7-yl]propan-2-ol |
| SMILES (Canonical) | CC12CCC3C(=CCC(O3)C(C)(C)O)C1CCC4C2(C5=C(C4)C6=CC=CC=C6N5)C |
| SMILES (Isomeric) | C[C@]12CC[C@H]3C(=CC[C@H](O3)C(C)(C)O)[C@@H]1CC[C@@H]4[C@@]2(C5=C(C4)C6=CC=CC=C6N5)C |
| InChI | InChI=1S/C27H35NO2/c1-25(2,29)23-12-10-18-20-11-9-16-15-19-17-7-5-6-8-21(17)28-24(19)27(16,4)26(20,3)14-13-22(18)30-23/h5-8,10,16,20,22-23,28-29H,9,11-15H2,1-4H3/t16-,20-,22-,23-,26-,27+/m0/s1 |
| InChI Key | FDYCJJJTQUSEOV-HEPDKZGESA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C27H35NO2 |
| Molecular Weight | 405.60 g/mol |
| Exact Mass | 405.266779359 g/mol |
| Topological Polar Surface Area (TPSA) | 45.20 Ų |
| XlogP | 5.20 |
| CHEMBL2408950 |
| CHEBI:181374 |
| 12-Demethyl-11,12-dehydropaspaline |
| C20534 |
| 2-[(1S,2S,5S,7S,11R,14S)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.02,11.05,10.016,24.017,22]tetracosa-9,16(24),17,19,21-pentaen-7-yl]propan-2-ol |
| 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 | 99.23% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.00% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.09% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.87% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.56% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.10% | 89.00% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 90.09% | 95.00% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 89.91% | 96.39% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.79% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.38% | 95.89% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 87.08% | 93.99% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 86.88% | 88.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.76% | 97.09% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 86.65% | 95.71% |
| CHEMBL2959 | Q08881 | Tyrosine-protein kinase ITK/TSK | 85.14% | 95.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.87% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.75% | 99.23% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 83.51% | 80.96% |
| CHEMBL5028 | O14672 | ADAM10 | 82.62% | 97.50% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 82.00% | 94.62% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.32% | 100.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.68% | 97.14% |
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.
| There are no matching plants. |
| PubChem | 71745335 |
| LOTUS | LTS0147909 |
| wikiData | Q77278479 |