32,39-Dimethoxy-9,27-dimethyl-2,15,17,20-tetraoxa-9,27-diazaoctacyclo[24.6.2.23,6.221,24.112,19.05,10.014,18.030,34]nonatriaconta-1(32),3(39),5(10),6(38),12,14(18),19(37),21,23,25,28,30,33,35-tetradecaen-4-one
| Internal ID | ecea8893-ca6f-4a1e-9337-146d7bcbcb00 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Ethers > Diarylethers |
| IUPAC Name | 32,39-dimethoxy-9,27-dimethyl-2,15,17,20-tetraoxa-9,27-diazaoctacyclo[24.6.2.23,6.221,24.112,19.05,10.014,18.030,34]nonatriaconta-1(32),3(39),5(10),6(38),12,14(18),19(37),21,23,25,28,30,33,35-tetradecaen-4-one |
| SMILES (Canonical) | CN1CCC2=CC(=C3C(=O)C2=C1CC4=CC5=C(C(=C4)OC6=CC=C(C=C6)C=C7C8=CC(=C(C=C8C=CN7C)OC)O3)OCO5)OC |
| SMILES (Isomeric) | CN1CCC2=CC(=C3C(=O)C2=C1CC4=CC5=C(C(=C4)OC6=CC=C(C=C6)C=C7C8=CC(=C(C=C8C=CN7C)OC)O3)OCO5)OC |
| InChI | InChI=1S/C37H32N2O7/c1-38-11-9-23-17-29(41-3)30-19-26(23)27(38)13-21-5-7-25(8-6-21)45-33-16-22(15-32-36(33)44-20-43-32)14-28-34-24(10-12-39(28)2)18-31(42-4)37(46-30)35(34)40/h5-9,11,13,15-19H,10,12,14,20H2,1-4H3 |
| InChI Key | XAJNVBMWCKYWIM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C37H32N2O7 |
| Molecular Weight | 616.70 g/mol |
| Exact Mass | 616.22095136 g/mol |
| Topological Polar Surface Area (TPSA) | 78.90 Ų |
| XlogP | 6.20 |
| There are no found synonyms. |
![2D Structure of 32,39-Dimethoxy-9,27-dimethyl-2,15,17,20-tetraoxa-9,27-diazaoctacyclo[24.6.2.23,6.221,24.112,19.05,10.014,18.030,34]nonatriaconta-1(32),3(39),5(10),6(38),12,14(18),19(37),21,23,25,28,30,33,35-tetradecaen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/83c20850-856c-11ee-b9fe-9f4c7a4462f1.jpg "2D Structure of 32,39-Dimethoxy-9,27-dimethyl-2,15,17,20-tetraoxa-9,27-diazaoctacyclo[24.6.2.23,6.221,24.112,19.05,10.014,18.030,34]nonatriaconta-1(32),3(39),5(10),6(38),12,14(18),19(37),21,23,25,28,30,33,35-tetradecaen-4-one")
| 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 |
|---|---|---|---|---|
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 98.62% | 96.77% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 98.31% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.98% | 96.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 96.90% | 93.40% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.56% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.34% | 94.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.94% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.54% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.46% | 90.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.96% | 99.23% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.60% | 91.11% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 88.50% | 82.67% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.26% | 85.14% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.17% | 98.75% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 86.78% | 82.38% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 86.34% | 86.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.01% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.00% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.20% | 100.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 83.79% | 89.62% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 82.06% | 94.80% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 81.79% | 92.38% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 81.75% | 90.24% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.43% | 93.04% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 81.22% | 95.53% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.82% | 94.45% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 80.34% | 85.94% |
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.
| Daphnandra dielsii |
| PubChem | 163194681 |
| LOTUS | LTS0055765 |
| wikiData | Q105323958 |