methyl (1S,9R,10S,12S,13Z,18R)-13-ethylidene-10-hydroxy-18-(hydroxymethyl)-8,15-diazapentacyclo[10.5.1.01,9.02,7.09,15]octadeca-2,4,6-triene-18-carboxylate
Internal ID | 61a39da5-967f-4793-94ff-7735fbc699e0 |
Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Carbazoles |
IUPAC Name | methyl (1S,9R,10S,12S,13Z,18R)-13-ethylidene-10-hydroxy-18-(hydroxymethyl)-8,15-diazapentacyclo[10.5.1.01,9.02,7.09,15]octadeca-2,4,6-triene-18-carboxylate |
SMILES (Canonical) | CC=C1CN2CCC34C2(C(CC1C3(CO)C(=O)OC)O)NC5=CC=CC=C45 |
SMILES (Isomeric) | C/C=C/1\CN2CC[C@@]34[C@@]2([C@H](C[C@@H]1[C@@]3(CO)C(=O)OC)O)NC5=CC=CC=C45 |
InChI | InChI=1S/C21H26N2O4/c1-3-13-11-23-9-8-20-14-6-4-5-7-16(14)22-21(20,23)17(25)10-15(13)19(20,12-24)18(26)27-2/h3-7,15,17,22,24-25H,8-12H2,1-2H3/b13-3+/t15-,17-,19-,20-,21-/m0/s1 |
InChI Key | VZZBVNLFHYEUHM-WCDVPDCSSA-N |
Popularity | 0 references in papers |
Molecular Formula | C21H26N2O4 |
Molecular Weight | 370.40 g/mol |
Exact Mass | 370.18925731 g/mol |
Topological Polar Surface Area (TPSA) | 82.00 Ų |
XlogP | 0.70 |
There are no found synonyms. |
![2D Structure of methyl (1S,9R,10S,12S,13Z,18R)-13-ethylidene-10-hydroxy-18-(hydroxymethyl)-8,15-diazapentacyclo[10.5.1.01,9.02,7.09,15]octadeca-2,4,6-triene-18-carboxylate 2D Structure of methyl (1S,9R,10S,12S,13Z,18R)-13-ethylidene-10-hydroxy-18-(hydroxymethyl)-8,15-diazapentacyclo[10.5.1.01,9.02,7.09,15]octadeca-2,4,6-triene-18-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/7712a8a0-854d-11ee-9f70-6f24f57ea7e4.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 | 99.25% | 96.09% |
CHEMBL2581 | P07339 | Cathepsin D | 92.58% | 98.95% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.43% | 91.11% |
CHEMBL5028 | O14672 | ADAM10 | 90.35% | 97.50% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.67% | 97.09% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.70% | 95.56% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.20% | 86.33% |
CHEMBL4208 | P20618 | Proteasome component C5 | 85.96% | 90.00% |
CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 85.88% | 95.83% |
CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 85.68% | 97.28% |
CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.64% | 93.03% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.38% | 97.25% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.37% | 82.69% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.35% | 94.45% |
CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.49% | 91.07% |
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 |
Alstonia scholaris |
PubChem | 162980366 |
LOTUS | LTS0054609 |
wikiData | Q105300070 |