9-(14,16-Dihydroxy-6-methyl-2-oxo-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-10(15),11,13-trien-9-yl)-7,8-dimethoxy-5-methyl-17-oxa-5,15-diazahexacyclo[13.4.3.01,16.04,12.06,11.012,16]docosa-2,6,8,10-tetraen-18-one
| Internal ID | 815ba6f4-6ddb-4d99-b060-0e9851702959 |
| Taxonomy | Alkaloids and derivatives > Indolonaphthyridine alkaloids |
| IUPAC Name | 9-(14,16-dihydroxy-6-methyl-2-oxo-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-10(15),11,13-trien-9-yl)-7,8-dimethoxy-5-methyl-17-oxa-5,15-diazahexacyclo[13.4.3.01,16.04,12.06,11.012,16]docosa-2,6,8,10-tetraen-18-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C37H42N4O7/c1-38-17-14-34(21-7-5-8-24(42)29(21)41-27(43)10-9-26(38)36(34,41)45)23-19-22-30(32(47-4)31(23)46-3)39(2)25-11-13-33-12-6-16-40-18-15-35(22,25)37(33,40)48-28(44)20-33/h5,7-8,11,13,19,25-26,42,45H,6,9-10,12,14-18,20H2,1-4H3 |
| InChI Key | RHJDWXMFWUJUBI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C37H42N4O7 |
| Molecular Weight | 654.80 g/mol |
| Exact Mass | 654.30534969 g/mol |
| Topological Polar Surface Area (TPSA) | 115.00 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
![2D Structure of 9-(14,16-Dihydroxy-6-methyl-2-oxo-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-10(15),11,13-trien-9-yl)-7,8-dimethoxy-5-methyl-17-oxa-5,15-diazahexacyclo[13.4.3.01,16.04,12.06,11.012,16]docosa-2,6,8,10-tetraen-18-one](https://plantaedb.com/storage/docs/compounds/2023/11/10039f40-8559-11ee-ad99-47a74131c478.jpg "2D Structure of 9-(14,16-Dihydroxy-6-methyl-2-oxo-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-10(15),11,13-trien-9-yl)-7,8-dimethoxy-5-methyl-17-oxa-5,15-diazahexacyclo[13.4.3.01,16.04,12.06,11.012,16]docosa-2,6,8,10-tetraen-18-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.72% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.32% | 96.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 97.94% | 93.99% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.57% | 95.56% |
| CHEMBL233 | P35372 | Mu opioid receptor | 95.21% | 97.93% |
| CHEMBL3820 | P35557 | Hexokinase type IV | 94.21% | 91.96% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.95% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.00% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.26% | 94.45% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 92.18% | 93.40% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 92.01% | 90.00% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 91.72% | 95.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 90.60% | 94.75% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.33% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.26% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.80% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.57% | 89.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 87.22% | 91.07% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.65% | 95.89% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 86.00% | 97.05% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 85.99% | 96.39% |
| CHEMBL5028 | O14672 | ADAM10 | 83.53% | 97.50% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 83.21% | 95.62% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.86% | 99.15% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.30% | 97.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.78% | 90.71% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 80.90% | 100.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.60% | 93.04% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.07% | 97.14% |
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.
| Haplophyton cimicidum |
| PubChem | 73816884 |
| LOTUS | LTS0085555 |
| wikiData | Q105236418 |