4,16-Dimethoxy-12-methyl-12-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,13,15-hexaene-5,15-diol
| Internal ID | 5fb41011-0dcd-470d-a1b8-022302f7d2a2 |
| Taxonomy | Benzenoids > Phenanthrenes and derivatives |
| IUPAC Name | 4,16-dimethoxy-12-methyl-12-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,13,15-hexaene-5,15-diol |
| SMILES (Canonical) | CN1CCC2CC3=CC(=C(C=C3C4=C2C1=CC(=C4OC)O)OC)O |
| SMILES (Isomeric) | CN1CCC2CC3=CC(=C(C=C3C4=C2C1=CC(=C4OC)O)OC)O |
| InChI | InChI=1S/C19H21NO4/c1-20-5-4-10-6-11-7-14(21)16(23-2)8-12(11)18-17(10)13(20)9-15(22)19(18)24-3/h7-10,21-22H,4-6H2,1-3H3 |
| InChI Key | NOOBBKVZCWLNOB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H21NO4 |
| Molecular Weight | 327.40 g/mol |
| Exact Mass | 327.14705815 g/mol |
| Topological Polar Surface Area (TPSA) | 62.20 Ų |
| XlogP | 3.10 |
| There are no found synonyms. |
![2D Structure of 4,16-Dimethoxy-12-methyl-12-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,13,15-hexaene-5,15-diol](https://plantaedb.com/storage/docs/compounds/2023/11/694d0c60-8732-11ee-ae49-452221fbb91f.jpg "2D Structure of 4,16-Dimethoxy-12-methyl-12-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,13,15-hexaene-5,15-diol")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.84% | 96.09% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 96.99% | 95.62% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 95.80% | 91.79% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 94.59% | 92.94% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 93.06% | 93.40% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.01% | 98.95% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 90.43% | 89.62% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.28% | 90.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 89.98% | 91.03% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.28% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.70% | 91.11% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 88.54% | 93.03% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.15% | 95.89% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 87.85% | 98.11% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 87.46% | 96.86% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 87.04% | 88.48% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 86.05% | 95.12% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.94% | 98.75% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 84.47% | 90.24% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 84.31% | 91.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.58% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.90% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.64% | 99.17% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 82.51% | 80.78% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.34% | 94.00% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 81.65% | 96.21% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 80.81% | 93.65% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 80.80% | 82.67% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.54% | 99.15% |
| CHEMBL3474 | P14555 | Phospholipase A2 group IIA | 80.52% | 94.05% |
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.
| Croton celtidifolius |
| PubChem | 162894725 |
| LOTUS | LTS0203344 |
| wikiData | Q105182672 |