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
| Internal ID | 3261371f-7560-46fd-8d75-d749550738df |
| Taxonomy | Organoheterocyclic compounds > Isoindoles and derivatives |
| IUPAC Name | 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) | CC1C2C(NC(=O)C23C(CC(=C)C4C3(CC(C4)O)O)C=C1C)CC(C)C |
| SMILES (Isomeric) | CC1C2C(NC(=O)C23C(CC(=C)C4C3(CC(C4)O)O)C=C1C)CC(C)C |
| 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) |
| InChI Key | IVNMYYQUDTZHEP-UHFFFAOYSA-N |
| Popularity | 0 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 |
| There are no found synonyms. |
![2D Structure of 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](https://plantaedb.com/storage/docs/compounds/2023/11/74003a70-87e6-11ee-ad8f-9b42992bd659.jpg "2D Structure of 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")
| 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 |
|---|---|---|---|---|
| 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!
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| There are no matching plants. |
| PubChem | 162816532 |
| LOTUS | LTS0132650 |
| wikiData | Q104169168 |