Penioxamide A
| Internal ID | fa4b8c3a-36ac-46c5-a858-adec95175b88 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Pyrroloquinolines |
| IUPAC Name | (1S,13R,15S)-12,12-dimethyl-8-(3-methylbut-2-enyl)-10,20,22-triazahexacyclo[13.6.2.01,13.03,11.04,9.015,20]tricosa-3(11),4,6,8-tetraen-23-one |
| SMILES (Canonical) | CC(=CCC1=C2C(=CC=C1)C3=C(N2)C(C4CC56CCCCN5CC4(C3)NC6=O)(C)C)C |
| SMILES (Isomeric) | CC(=CCC1=C2C(=CC=C1)C3=C(N2)C([C@H]4C[C@]56CCCCN5C[C@@]4(C3)NC6=O)(C)C)C |
| InChI | InChI=1S/C27H35N3O/c1-17(2)10-11-18-8-7-9-19-20-14-26-16-30-13-6-5-12-27(30,24(31)29-26)15-21(26)25(3,4)23(20)28-22(18)19/h7-10,21,28H,5-6,11-16H2,1-4H3,(H,29,31)/t21-,26-,27+/m1/s1 |
| InChI Key | HUWKBOGWFSCPBJ-ZFWHIUCFSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H35N3O |
| Molecular Weight | 417.60 g/mol |
| Exact Mass | 417.278012748 g/mol |
| Topological Polar Surface Area (TPSA) | 48.10 Ų |
| XlogP | 5.30 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.59% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.44% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.28% | 85.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.14% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.31% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.93% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.59% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.32% | 97.09% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 91.98% | 98.59% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 91.60% | 94.75% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 91.47% | 90.08% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 90.27% | 93.99% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 89.89% | 88.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.32% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.59% | 99.23% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 87.46% | 93.40% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 87.37% | 97.28% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.00% | 90.17% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 85.56% | 91.71% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 85.48% | 95.69% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.43% | 100.00% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 84.57% | 97.50% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.97% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.40% | 89.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.17% | 93.03% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.84% | 86.33% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 80.39% | 95.56% |
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.
| There are no matching plants. |
| PubChem | 122369933 |
| LOTUS | LTS0078923 |
| wikiData | Q77310102 |