Methyl 18-(1-hydroxyethyl)-2-oxa-6,16-diazahexacyclo[14.3.1.03,18.05,13.07,12.013,17]icosa-4,7,9,11-tetraene-4-carboxylate
Internal ID | 7f8985bb-4a93-4840-aa0f-6d28fb3f7f40 |
Taxonomy | Alkaloids and derivatives > Aspidospermatan-type alkaloids |
IUPAC Name | methyl 18-(1-hydroxyethyl)-2-oxa-6,16-diazahexacyclo[14.3.1.03,18.05,13.07,12.013,17]icosa-4,7,9,11-tetraene-4-carboxylate |
SMILES (Canonical) | CC(C12CC3CN4C1C5(CC4)C6=CC=CC=C6NC5=C(C2O3)C(=O)OC)O |
SMILES (Isomeric) | CC(C12CC3CN4C1C5(CC4)C6=CC=CC=C6NC5=C(C2O3)C(=O)OC)O |
InChI | InChI=1S/C21H24N2O4/c1-11(24)21-9-12-10-23-8-7-20(19(21)23)13-5-3-4-6-14(13)22-16(20)15(17(21)27-12)18(25)26-2/h3-6,11-12,17,19,22,24H,7-10H2,1-2H3 |
InChI Key | FJFAFXAJZWYPPQ-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C21H24N2O4 |
Molecular Weight | 368.40 g/mol |
Exact Mass | 368.17360725 g/mol |
Topological Polar Surface Area (TPSA) | 71.00 Ų |
XlogP | 1.20 |
There are no found synonyms. |
![2D Structure of Methyl 18-(1-hydroxyethyl)-2-oxa-6,16-diazahexacyclo[14.3.1.03,18.05,13.07,12.013,17]icosa-4,7,9,11-tetraene-4-carboxylate 2D Structure of Methyl 18-(1-hydroxyethyl)-2-oxa-6,16-diazahexacyclo[14.3.1.03,18.05,13.07,12.013,17]icosa-4,7,9,11-tetraene-4-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/4cf1e060-8134-11ee-af2c-d31d73804faf.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 | 99.27% | 96.09% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.74% | 91.11% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.99% | 85.14% |
CHEMBL2581 | P07339 | Cathepsin D | 95.96% | 98.95% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.67% | 94.45% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 90.84% | 97.14% |
CHEMBL4208 | P20618 | Proteasome component C5 | 90.26% | 90.00% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.03% | 90.71% |
CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 87.22% | 93.03% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.89% | 99.23% |
CHEMBL5028 | O14672 | ADAM10 | 86.87% | 97.50% |
CHEMBL2782 | P35610 | Acyl coenzyme A:cholesterol acyltransferase 1 | 85.55% | 91.65% |
CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.58% | 100.00% |
CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 83.86% | 100.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.82% | 95.56% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.01% | 95.89% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.76% | 97.09% |
CHEMBL3401 | O75469 | Pregnane X receptor | 82.74% | 94.73% |
CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 82.05% | 94.08% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.67% | 86.33% |
CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.09% | 93.56% |
CHEMBL2535 | P11166 | Glucose transporter | 80.55% | 98.75% |
CHEMBL6007 | O75762 | Transient receptor potential cation channel subfamily A member 1 | 80.23% | 92.17% |
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.
Petchia ceylanica |
PubChem | 163023926 |
LOTUS | LTS0235819 |
wikiData | Q104996025 |