19-Methoxy-3,5-dioxa-11-azahexacyclo[9.9.2.02,6.08,21.014,22.015,20]docosa-1(21),2(6),7,14(22),15(20),16,18-heptaene-12,13-dione
Internal ID | 50bececd-d840-499a-beae-ecf8da948577 |
Taxonomy | Alkaloids and derivatives > Aporphines |
IUPAC Name | 19-methoxy-3,5-dioxa-11-azahexacyclo[9.9.2.02,6.08,21.014,22.015,20]docosa-1(21),2(6),7,14(22),15(20),16,18-heptaene-12,13-dione |
SMILES (Canonical) | COC1=CC=CC2=C1C3=C4C(=CC5=C3OCO5)CCN6C4=C2C(=O)C6=O |
SMILES (Isomeric) | COC1=CC=CC2=C1C3=C4C(=CC5=C3OCO5)CCN6C4=C2C(=O)C6=O |
InChI | InChI=1S/C20H13NO5/c1-24-11-4-2-3-10-14(11)16-13-9(7-12-19(16)26-8-25-12)5-6-21-17(13)15(10)18(22)20(21)23/h2-4,7H,5-6,8H2,1H3 |
InChI Key | VAFXQESXYXYGGK-UHFFFAOYSA-N |
Popularity | 1 reference in papers |
Molecular Formula | C20H13NO5 |
Molecular Weight | 347.30 g/mol |
Exact Mass | 347.07937252 g/mol |
Topological Polar Surface Area (TPSA) | 65.10 Ų |
XlogP | 3.20 |
There are no found synonyms. |
![2D Structure of 19-Methoxy-3,5-dioxa-11-azahexacyclo[9.9.2.02,6.08,21.014,22.015,20]docosa-1(21),2(6),7,14(22),15(20),16,18-heptaene-12,13-dione 2D Structure of 19-Methoxy-3,5-dioxa-11-azahexacyclo[9.9.2.02,6.08,21.014,22.015,20]docosa-1(21),2(6),7,14(22),15(20),16,18-heptaene-12,13-dione](https://plantaedb.com/storage/docs/compounds/2023/11/0e0cd7a0-85ce-11ee-a756-3d3a80ba8b42.jpg)
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 |
---|---|---|---|---|
CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.86% | 83.82% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 98.00% | 95.56% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.67% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 96.45% | 98.95% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.31% | 94.45% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 95.33% | 96.77% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.05% | 89.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.73% | 86.33% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 93.78% | 95.89% |
CHEMBL240 | Q12809 | HERG | 93.46% | 89.76% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.97% | 96.09% |
CHEMBL2535 | P11166 | Glucose transporter | 92.03% | 98.75% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.56% | 99.23% |
CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 91.30% | 93.99% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 90.05% | 97.14% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.11% | 92.62% |
CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 88.82% | 96.86% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.27% | 94.00% |
CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 83.93% | 96.00% |
CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 83.22% | 94.80% |
CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 82.91% | 82.67% |
CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 82.71% | 96.67% |
CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 82.32% | 100.00% |
CHEMBL5203 | P33316 | dUTP pyrophosphatase | 82.28% | 99.18% |
CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 81.10% | 94.03% |
CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 80.25% | 90.95% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.19% | 100.00% |
CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.01% | 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.
To see more specific details click the taxa you are interested in.
Lettowianthus stellatus |
PubChem | 162940780 |
LOTUS | LTS0140179 |
wikiData | Q105282692 |