(16R,18R)-7-hydroxy-9-methoxy-16,18-dimethyl-13-oxa-17-azapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2,4,6,8,10,15(20),21-octaen-12-one
| Internal ID | bab8740d-ae2a-44fd-a402-652b129a30af |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans |
| IUPAC Name | (16R,18R)-7-hydroxy-9-methoxy-16,18-dimethyl-13-oxa-17-azapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2,4,6,8,10,15(20),21-octaen-12-one |
| SMILES (Canonical) | CC1CC2=C(C(N1)C)C3=C(C=C2)C4=C5C=CC=C(C5=C(C=C4C(=O)O3)OC)O |
| SMILES (Isomeric) | C[C@@H]1CC2=C([C@H](N1)C)C3=C(C=C2)C4=C5C=CC=C(C5=C(C=C4C(=O)O3)OC)O |
| InChI | InChI=1S/C23H21NO4/c1-11-9-13-7-8-15-20-14-5-4-6-17(25)21(14)18(27-3)10-16(20)23(26)28-22(15)19(13)12(2)24-11/h4-8,10-12,24-25H,9H2,1-3H3/t11-,12-/m1/s1 |
| InChI Key | JXIICUPAPXXMPH-VXGBXAGGSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H21NO4 |
| Molecular Weight | 375.40 g/mol |
| Exact Mass | 375.14705815 g/mol |
| Topological Polar Surface Area (TPSA) | 67.80 Ų |
| XlogP | 4.10 |
| There are no found synonyms. |
![2D Structure of (16R,18R)-7-hydroxy-9-methoxy-16,18-dimethyl-13-oxa-17-azapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2,4,6,8,10,15(20),21-octaen-12-one](https://plantaedb.com/storage/docs/compounds/2023/11/020b6970-875f-11ee-95f0-c1320dd7e844.jpg "2D Structure of (16R,18R)-7-hydroxy-9-methoxy-16,18-dimethyl-13-oxa-17-azapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2,4,6,8,10,15(20),21-octaen-12-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.38% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.31% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.42% | 94.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 95.94% | 93.99% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.23% | 94.45% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 93.46% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.28% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.20% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.60% | 86.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 91.26% | 98.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.78% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.84% | 97.09% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 88.21% | 95.62% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.05% | 99.23% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.64% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.46% | 85.14% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 84.25% | 94.03% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.19% | 99.17% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.47% | 92.62% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.28% | 96.95% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 82.18% | 95.56% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 81.85% | 100.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.49% | 92.94% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 80.81% | 96.00% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 80.38% | 96.39% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 80.27% | 93.31% |
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.
| Triphyophyllum peltatum |
| PubChem | 10362108 |
| LOTUS | LTS0052661 |
| wikiData | Q105136591 |