Methyl 13-ethylidene-15-(hydroxymethyl)-11-methyl-18-oxa-8,11-diazapentacyclo[7.6.3.110,14.01,9.02,7]nonadeca-2,4,6-triene-15-carboxylate
Internal ID | 68cda1ad-9e80-4903-94e5-a9de702cead6 |
Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Carbazoles |
IUPAC Name | methyl 13-ethylidene-15-(hydroxymethyl)-11-methyl-18-oxa-8,11-diazapentacyclo[7.6.3.110,14.01,9.02,7]nonadeca-2,4,6-triene-15-carboxylate |
SMILES (Canonical) | CC=C1CN(C2CC1C(C34C2(NC5=CC=CC=C53)OCC4)(CO)C(=O)OC)C |
SMILES (Isomeric) | CC=C1CN(C2CC1C(C34C2(NC5=CC=CC=C53)OCC4)(CO)C(=O)OC)C |
InChI | InChI=1S/C22H28N2O4/c1-4-14-12-24(2)18-11-16(14)20(13-25,19(26)27-3)21-9-10-28-22(18,21)23-17-8-6-5-7-15(17)21/h4-8,16,18,23,25H,9-13H2,1-3H3 |
InChI Key | HKPCFZOWAPKAPY-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C22H28N2O4 |
Molecular Weight | 384.50 g/mol |
Exact Mass | 384.20490738 g/mol |
Topological Polar Surface Area (TPSA) | 71.00 Ų |
XlogP | 1.30 |
There are no found synonyms. |
![2D Structure of Methyl 13-ethylidene-15-(hydroxymethyl)-11-methyl-18-oxa-8,11-diazapentacyclo[7.6.3.110,14.01,9.02,7]nonadeca-2,4,6-triene-15-carboxylate 2D Structure of Methyl 13-ethylidene-15-(hydroxymethyl)-11-methyl-18-oxa-8,11-diazapentacyclo[7.6.3.110,14.01,9.02,7]nonadeca-2,4,6-triene-15-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/18d92850-8669-11ee-81c7-5f08dc857292.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 | 99.30% | 96.09% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.54% | 91.11% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.40% | 95.56% |
CHEMBL2581 | P07339 | Cathepsin D | 90.45% | 98.95% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.94% | 97.25% |
CHEMBL5028 | O14672 | ADAM10 | 88.92% | 97.50% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.30% | 85.14% |
CHEMBL4208 | P20618 | Proteasome component C5 | 86.98% | 90.00% |
CHEMBL4040 | P28482 | MAP kinase ERK2 | 85.70% | 83.82% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.56% | 97.09% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.16% | 94.45% |
CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.42% | 91.07% |
CHEMBL2096618 | P11274 | Bcr/Abl fusion protein | 80.03% | 85.83% |
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 rostrata |
PubChem | 578979 |
LOTUS | LTS0159820 |
wikiData | Q105029841 |