Methyl 15-ethylidene-13-formyl-3-methyl-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraene-13-carboxylate
Internal ID | 61ea6a19-d3f8-4336-acfa-bec34a331d19 |
Taxonomy | Alkaloids and derivatives > Macroline alkaloids |
IUPAC Name | methyl 15-ethylidene-13-formyl-3-methyl-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraene-13-carboxylate |
SMILES (Canonical) | CC=C1CN2C3CC1C(C2CC4=C3N(C5=CC=CC=C45)C)(C=O)C(=O)OC |
SMILES (Isomeric) | CC=C1CN2C3CC1C(C2CC4=C3N(C5=CC=CC=C45)C)(C=O)C(=O)OC |
InChI | InChI=1S/C22H24N2O3/c1-4-13-11-24-18-10-16(13)22(12-25,21(26)27-3)19(24)9-15-14-7-5-6-8-17(14)23(2)20(15)18/h4-8,12,16,18-19H,9-11H2,1-3H3 |
InChI Key | BYXPAWVOWMNTLI-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C22H24N2O3 |
Molecular Weight | 364.40 g/mol |
Exact Mass | 364.17869263 g/mol |
Topological Polar Surface Area (TPSA) | 51.50 Ų |
XlogP | 1.80 |
There are no found synonyms. |
![2D Structure of Methyl 15-ethylidene-13-formyl-3-methyl-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraene-13-carboxylate 2D Structure of Methyl 15-ethylidene-13-formyl-3-methyl-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraene-13-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/9fbce8c0-8549-11ee-b0de-77c8eb629393.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 |
---|---|---|---|---|
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.50% | 96.09% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.05% | 85.14% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.90% | 95.56% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.83% | 91.11% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.83% | 97.25% |
CHEMBL240 | Q12809 | HERG | 91.75% | 89.76% |
CHEMBL2581 | P07339 | Cathepsin D | 91.05% | 98.95% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.18% | 89.00% |
CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 88.41% | 94.08% |
CHEMBL5028 | O14672 | ADAM10 | 86.50% | 97.50% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 86.29% | 91.49% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.58% | 86.33% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.01% | 99.23% |
CHEMBL255 | P29275 | Adenosine A2b receptor | 81.97% | 98.59% |
CHEMBL4208 | P20618 | Proteasome component C5 | 81.92% | 90.00% |
CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 81.78% | 94.23% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.67% | 94.45% |
CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 81.54% | 95.83% |
CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.34% | 93.00% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.29% | 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.
Alstonia balansae |
PubChem | 162969924 |
LOTUS | LTS0108373 |
wikiData | Q104950089 |