(1S,9R,10R,16R)-16-methyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-11-ol
| Internal ID | 526d5dac-0e75-4a1a-b0db-b0da49983bd0 |
| Taxonomy | Organoheterocyclic compounds > Phenanthrolines |
| IUPAC Name | (1S,9R,10R,16R)-16-methyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-11-ol |
| SMILES (Canonical) | CC1CC2CC3=C(C=CC=N3)C4(C1)C2C(CCN4)O |
| SMILES (Isomeric) | C[C@@H]1C[C@@H]2CC3=C(C=CC=N3)[C@]4(C1)[C@@H]2C(CCN4)O |
| InChI | InChI=1S/C16H22N2O/c1-10-7-11-8-13-12(3-2-5-17-13)16(9-10)15(11)14(19)4-6-18-16/h2-3,5,10-11,14-15,18-19H,4,6-9H2,1H3/t10-,11-,14?,15+,16-/m1/s1 |
| InChI Key | UPDSILBIMXVIPG-IWSOBLICSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H22N2O |
| Molecular Weight | 258.36 g/mol |
| Exact Mass | 258.173213330 g/mol |
| Topological Polar Surface Area (TPSA) | 45.20 Ų |
| XlogP | 1.60 |
| There are no found synonyms. |
![2D Structure of (1S,9R,10R,16R)-16-methyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-11-ol](https://plantaedb.com/storage/docs/compounds/2023/11/1s9r10r16r-16-methyl-614-diazatetracyclo7530110027heptadeca-2735-trien-11-ol.jpg "2D Structure of (1S,9R,10R,16R)-16-methyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-11-ol")
| 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 | 98.52% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.66% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.53% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.11% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.51% | 94.45% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 87.17% | 94.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.92% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.27% | 98.95% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 84.79% | 96.39% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.42% | 98.75% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.34% | 90.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.19% | 89.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.22% | 100.00% |
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 | 102243444 |
| LOTUS | LTS0072778 |
| wikiData | Q105276734 |