1-[(15-Methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9-trien-18-yl)oxy]butan-2-ol
| Internal ID | f0a8e005-08b5-4b72-8d05-188bfe331e3a |
| Taxonomy | Alkaloids and derivatives > Amaryllidaceae alkaloids > Crinine- and Haemanthamine-type amaryllidaceae alkaloids |
| IUPAC Name | 1-[(15-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9-trien-18-yl)oxy]butan-2-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H29NO5/c1-3-14(23)11-25-20-10-22-9-13-6-17-18(27-12-26-17)8-16(13)21(20)5-4-15(24-2)7-19(21)22/h6,8,14-15,19-20,23H,3-5,7,9-12H2,1-2H3 |
| InChI Key | CAWUOMCIUGNLPP-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C21H29NO5 |
| Molecular Weight | 375.50 g/mol |
| Exact Mass | 375.20457303 g/mol |
| Topological Polar Surface Area (TPSA) | 60.40 Ų |
| XlogP | 2.20 |
| There are no found synonyms. |
![2D Structure of 1-[(15-Methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9-trien-18-yl)oxy]butan-2-ol](https://plantaedb.com/storage/docs/compounds/2023/11/0abf38c0-82c1-11ee-b452-497ce282ce6d.jpg "2D Structure of 1-[(15-Methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9-trien-18-yl)oxy]butan-2-ol")
| 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 | 99.42% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.21% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.58% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.61% | 91.11% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 94.80% | 92.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.59% | 97.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 92.18% | 96.77% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.82% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.49% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.91% | 95.89% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 88.88% | 89.62% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 86.40% | 93.18% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.64% | 100.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.43% | 95.89% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 84.95% | 89.05% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.04% | 90.71% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.86% | 97.14% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 82.85% | 98.05% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.29% | 89.50% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.98% | 93.04% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 81.40% | 82.38% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.42% | 85.14% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.27% | 100.00% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 80.07% | 90.24% |
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.
| There are no matching plants. |
| PubChem | 162949784 |
| LOTUS | LTS0207925 |
| wikiData | Q104952013 |