12-[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one
| Internal ID | d2f16451-7f0b-4918-a288-3325caec6893 |
| Taxonomy | Alkaloids and derivatives > Indolonaphthyridine alkaloids |
| IUPAC Name | 12-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one |
| SMILES (Canonical) | C1=CC2=C(C=C1OC3C(C(C(C(O3)CO)O)O)O)C4=C5N2C(=O)C=CC5=NC=C4 |
| SMILES (Isomeric) | C1=CC2=C(C=C1OC3C(C(C(C(O3)CO)O)O)O)C4=C5N2C(=O)C=CC5=NC=C4 |
| InChI | InChI=1S/C20H18N2O7/c23-8-14-17(25)18(26)19(27)20(29-14)28-9-1-3-13-11(7-9)10-5-6-21-12-2-4-15(24)22(13)16(10)12/h1-7,14,17-20,23,25-27H,8H2 |
| InChI Key | MZSAQIYKZGAUDD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H18N2O7 |
| Molecular Weight | 398.40 g/mol |
| Exact Mass | 398.11140092 g/mol |
| Topological Polar Surface Area (TPSA) | 134.00 Ų |
| XlogP | 0.30 |
| There are no found synonyms. |
![2D Structure of 12-[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/ef153950-859b-11ee-8f27-afcdb598b5ce.jpg "2D Structure of 12-[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-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 | 97.68% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.99% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.91% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.23% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.01% | 98.95% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 93.26% | 97.36% |
| CHEMBL1868 | P17948 | Vascular endothelial growth factor receptor 1 | 92.85% | 96.47% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.96% | 86.33% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 90.89% | 97.53% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.43% | 91.49% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.06% | 94.73% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.77% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.08% | 99.17% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 87.63% | 95.83% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.36% | 99.15% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.30% | 85.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.73% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.39% | 95.56% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.97% | 100.00% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 81.93% | 83.57% |
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.
| Aerva lanata |
| PubChem | 72745191 |
| LOTUS | LTS0211708 |
| wikiData | Q105176001 |