Penochalasin I
| Internal ID | 9052ed7a-ee55-466e-8f90-6df72e0ece23 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Carbazoles > Pyrrolocarbazoles |
| IUPAC Name | (1S,6R,7E,9S,11E,13R,16R,27S,30R)-6-hydroxy-7,9,16,30-tetramethyl-18,28-diazahexacyclo[14.13.1.01,13.017,25.019,24.027,30]triaconta-3,7,11,17(25),19,21,23-heptaene-2,5,29-trione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C32H36N2O4/c1-18-8-7-9-20-14-15-30(3)28-22(21-10-5-6-11-23(21)33-28)17-25-31(30,4)32(20,29(38)34-25)26(36)13-12-24(35)27(37)19(2)16-18/h5-7,9-13,16,18,20,25,27,33,37H,8,14-15,17H2,1-4H3,(H,34,38)/b9-7+,13-12?,19-16+/t18-,20-,25-,27+,30-,31+,32-/m0/s1 |
| InChI Key | CNOXPHKUUAMNSN-VXHPOFCZSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C32H36N2O4 |
| Molecular Weight | 512.60 g/mol |
| Exact Mass | 512.26750763 g/mol |
| Topological Polar Surface Area (TPSA) | 99.30 Ų |
| XlogP | 4.70 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.38% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.50% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.17% | 98.95% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 93.72% | 88.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.98% | 89.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 91.56% | 98.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.29% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.04% | 99.23% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 90.89% | 90.08% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 90.54% | 94.75% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 88.26% | 96.47% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.08% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.01% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.75% | 97.25% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 84.40% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.18% | 100.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 83.52% | 94.80% |
| CHEMBL3045 | P05771 | Protein kinase C beta | 81.66% | 97.63% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.39% | 92.94% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.15% | 93.03% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 80.95% | 97.05% |
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 | 139590394 |
| LOTUS | LTS0131539 |
| wikiData | Q104966198 |