Periconiasin F
| Internal ID | 489daee8-dd3a-4e73-b4bd-b4524a60901d |
| Taxonomy | Organoheterocyclic compounds > Isoindoles and derivatives |
| IUPAC Name | (1S,2S,4S,6R,9S,12S,13R,14S)-2,4-dihydroxy-11,12-dimethyl-7-methylidene-14-(2-methylpropyl)-15-azatetracyclo[7.7.0.01,13.02,6]hexadec-10-en-16-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H33NO3/c1-11(2)6-18-19-14(5)12(3)7-15-8-13(4)17-9-16(24)10-21(17,26)22(15,19)20(25)23-18/h7,11,14-19,24,26H,4,6,8-10H2,1-3,5H3,(H,23,25)/t14-,15-,16+,17-,18+,19+,21+,22-/m1/s1 |
| InChI Key | IVNMYYQUDTZHEP-WAEZUTTDSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C22H33NO3 |
| Molecular Weight | 359.50 g/mol |
| Exact Mass | 359.24604391 g/mol |
| Topological Polar Surface Area (TPSA) | 69.60 Ų |
| XlogP | 1.90 |
| Atomic LogP (AlogP) | 2.81 |
| H-Bond Acceptor | 3 |
| H-Bond Donor | 3 |
| Rotatable Bonds | 2 |
| There are no found synonyms. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 0.9951 | 99.51% |
| Caco-2 | + | 0.5591 | 55.91% |
| Blood Brain Barrier | + | 0.6750 | 67.50% |
| Human oral bioavailability | + | 0.6429 | 64.29% |
| Subcellular localzation | Mitochondria | 0.4954 | 49.54% |
| OATP2B1 inhibitior | - | 1.0000 | 100.00% |
| OATP1B1 inhibitior | + | 0.8674 | 86.74% |
| OATP1B3 inhibitior | + | 0.9306 | 93.06% |
| MATE1 inhibitior | - | 1.0000 | 100.00% |
| OCT2 inhibitior | - | 0.8250 | 82.50% |
| BSEP inhibitior | - | 0.6603 | 66.03% |
| P-glycoprotein inhibitior | - | 0.8579 | 85.79% |
| P-glycoprotein substrate | + | 0.6447 | 64.47% |
| CYP3A4 substrate | + | 0.6247 | 62.47% |
| CYP2C9 substrate | - | 0.7980 | 79.80% |
| CYP2D6 substrate | - | 0.8317 | 83.17% |
| CYP3A4 inhibition | - | 0.8719 | 87.19% |
| CYP2C9 inhibition | - | 0.6708 | 67.08% |
| CYP2C19 inhibition | - | 0.6461 | 64.61% |
| CYP2D6 inhibition | - | 0.9135 | 91.35% |
| CYP1A2 inhibition | - | 0.8563 | 85.63% |
| CYP2C8 inhibition | - | 0.7963 | 79.63% |
| CYP inhibitory promiscuity | + | 0.6818 | 68.18% |
| UGT catelyzed | + | 0.7000 | 70.00% |
| Carcinogenicity (binary) | - | 0.9600 | 96.00% |
| Carcinogenicity (trinary) | Non-required | 0.4968 | 49.68% |
| Eye corrosion | - | 0.9883 | 98.83% |
| Eye irritation | - | 0.9804 | 98.04% |
| Skin irritation | - | 0.7351 | 73.51% |
| Skin corrosion | - | 0.9149 | 91.49% |
| Ames mutagenesis | - | 0.7300 | 73.00% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.5000 | 50.00% |
| Micronuclear | + | 0.5700 | 57.00% |
| Hepatotoxicity | + | 0.5435 | 54.35% |
| skin sensitisation | - | 0.8201 | 82.01% |
| Respiratory toxicity | + | 0.7111 | 71.11% |
| Reproductive toxicity | + | 0.8778 | 87.78% |
| Mitochondrial toxicity | + | 0.7375 | 73.75% |
| Nephrotoxicity | - | 0.8462 | 84.62% |
| Acute Oral Toxicity (c) | III | 0.3795 | 37.95% |
| Estrogen receptor binding | + | 0.6507 | 65.07% |
| Androgen receptor binding | + | 0.6951 | 69.51% |
| Thyroid receptor binding | + | 0.6829 | 68.29% |
| Glucocorticoid receptor binding | + | 0.7265 | 72.65% |
| Aromatase binding | + | 0.5799 | 57.99% |
| PPAR gamma | - | 0.6279 | 62.79% |
| Honey bee toxicity | - | 0.7593 | 75.93% |
| Biodegradation | - | 0.7750 | 77.50% |
| Crustacea aquatic toxicity | - | 0.5800 | 58.00% |
| Fish aquatic toxicity | + | 0.9417 | 94.17% |
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 | 97.42% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.16% | 98.95% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 95.55% | 97.79% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.30% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.35% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.15% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.44% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.35% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.21% | 94.45% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.89% | 90.71% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 87.66% | 86.00% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 85.10% | 98.03% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.01% | 93.56% |
| CHEMBL3045 | P05771 | Protein kinase C beta | 84.91% | 97.63% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.42% | 100.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.47% | 96.47% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.89% | 93.03% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.57% | 89.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.54% | 90.17% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.19% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.05% | 95.89% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 80.98% | 85.11% |
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.
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| There are no matching plants. |
| PubChem | 139588749 |
| LOTUS | LTS0099417 |
| wikiData | Q105121148 |