5-Hydroxy-3,17,17-trimethyl-7-methylidene-15-(2-phenylethyl)-15-azatricyclo[8.5.2.013,16]heptadeca-3,13(16)-dien-14-one
| Internal ID | 0d78ad76-466f-4363-8c76-7aacd1741251 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolactams |
| IUPAC Name | 5-hydroxy-3,17,17-trimethyl-7-methylidene-15-(2-phenylethyl)-15-azatricyclo[8.5.2.013,16]heptadeca-3,13(16)-dien-14-one |
| SMILES (Canonical) | CC1=CC(CC(=C)CCC2CCC3=C(C2(C)C)C(C1)N(C3=O)CCC4=CC=CC=C4)O |
| SMILES (Isomeric) | CC1=CC(CC(=C)CCC2CCC3=C(C2(C)C)C(C1)N(C3=O)CCC4=CC=CC=C4)O |
| InChI | InChI=1S/C28H37NO2/c1-19-10-11-22-12-13-24-26(28(22,3)4)25(18-20(2)17-23(30)16-19)29(27(24)31)15-14-21-8-6-5-7-9-21/h5-9,17,22-23,25,30H,1,10-16,18H2,2-4H3 |
| InChI Key | WKVRSJMJFGOQJH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H37NO2 |
| Molecular Weight | 419.60 g/mol |
| Exact Mass | 419.282429423 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 4.80 |
| There are no found synonyms. |
![2D Structure of 5-Hydroxy-3,17,17-trimethyl-7-methylidene-15-(2-phenylethyl)-15-azatricyclo[8.5.2.013,16]heptadeca-3,13(16)-dien-14-one](https://plantaedb.com/storage/docs/compounds/2023/11/57ec5ce0-85f8-11ee-ae3a-f9d611e11f8e.jpg "2D Structure of 5-Hydroxy-3,17,17-trimethyl-7-methylidene-15-(2-phenylethyl)-15-azatricyclo[8.5.2.013,16]heptadeca-3,13(16)-dien-14-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.89% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.83% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.47% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.94% | 86.33% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 92.19% | 96.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.97% | 91.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.28% | 95.89% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.42% | 85.14% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 87.18% | 93.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.07% | 97.25% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.79% | 90.17% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.57% | 95.89% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 81.86% | 97.05% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 80.71% | 94.62% |
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 | 73060765 |
| LOTUS | LTS0214240 |
| wikiData | Q105307740 |