(1R,12R)-16-methoxy-5,7-dioxa-20-azapentacyclo[10.5.3.01,13.02,10.04,8]icosa-2,4(8),9,13,16-pentaen-15-one
| Internal ID | 29d608d5-1c86-464e-9b5d-f0618f92b56a |
| Taxonomy | Benzenoids > Phenanthrenes and derivatives |
| IUPAC Name | (1R,12R)-16-methoxy-5,7-dioxa-20-azapentacyclo[10.5.3.01,13.02,10.04,8]icosa-2,4(8),9,13,16-pentaen-15-one |
| SMILES (Canonical) | COC1=CC23CCNC(C2=CC1=O)CC4=CC5=C(C=C34)OCO5 |
| SMILES (Isomeric) | COC1=C[C@@]23CCN[C@@H](C2=CC1=O)CC4=CC5=C(C=C34)OCO5 |
| InChI | InChI=1S/C18H17NO4/c1-21-17-8-18-2-3-19-13(12(18)6-14(17)20)4-10-5-15-16(7-11(10)18)23-9-22-15/h5-8,13,19H,2-4,9H2,1H3/t13-,18-/m1/s1 |
| InChI Key | RDJMCICSPBAMDM-FZKQIMNGSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H17NO4 |
| Molecular Weight | 311.30 g/mol |
| Exact Mass | 311.11575802 g/mol |
| Topological Polar Surface Area (TPSA) | 56.80 Ų |
| XlogP | 1.70 |
| There are no found synonyms. |
![2D Structure of (1R,12R)-16-methoxy-5,7-dioxa-20-azapentacyclo[10.5.3.01,13.02,10.04,8]icosa-2,4(8),9,13,16-pentaen-15-one](https://plantaedb.com/storage/docs/compounds/2023/11/bc544dd0-83ab-11ee-b7b1-2de2aa164d68.jpg "2D Structure of (1R,12R)-16-methoxy-5,7-dioxa-20-azapentacyclo[10.5.3.01,13.02,10.04,8]icosa-2,4(8),9,13,16-pentaen-15-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 |
|---|---|---|---|---|
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 99.26% | 96.77% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.29% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.73% | 94.45% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 95.49% | 94.80% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.19% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.62% | 97.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 92.45% | 93.99% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 91.33% | 85.30% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.08% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.06% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.97% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.47% | 97.25% |
| CHEMBL2292 | Q13627 | Dual-specificity tyrosine-phosphorylation regulated kinase 1A | 88.41% | 93.24% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.00% | 90.00% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 87.84% | 80.96% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.53% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.13% | 95.89% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 86.41% | 93.40% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.77% | 98.75% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.67% | 100.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.51% | 92.62% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 84.18% | 92.68% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.91% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.65% | 99.23% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.79% | 90.71% |
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.
| Erythrina crista-galli |
| Roemeria refracta |
| PubChem | 163105791 |
| LOTUS | LTS0199210 |
| wikiData | Q105234263 |