(1S,13S,15R)-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-15-ol
| Internal ID | 16c67e2b-177b-484e-ad5d-34532904c976 |
| Taxonomy | Alkaloids and derivatives > Amaryllidaceae alkaloids > Crinine- and Haemanthamine-type amaryllidaceae alkaloids |
| IUPAC Name | (1S,13S,15R)-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-15-ol |
| SMILES (Canonical) | C1CN2CC3=CC4=C(C=C3C15C2CC(C=C5)O)OCO4 |
| SMILES (Isomeric) | C1CN2CC3=CC4=C(C=C3[C@]15[C@@H]2C[C@H](C=C5)O)OCO4 |
| InChI | InChI=1S/C16H17NO3/c18-11-1-2-16-3-4-17(15(16)6-11)8-10-5-13-14(7-12(10)16)20-9-19-13/h1-2,5,7,11,15,18H,3-4,6,8-9H2/t11-,15-,16+/m0/s1 |
| InChI Key | RPAORVSEYNOMBR-KNXALSJPSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H17NO3 |
| Molecular Weight | 271.31 g/mol |
| Exact Mass | 271.12084340 g/mol |
| Topological Polar Surface Area (TPSA) | 41.90 Ų |
| XlogP | 1.70 |
| There are no found synonyms. |
![2D Structure of (1S,13S,15R)-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-15-ol](https://plantaedb.com/storage/docs/compounds/2023/11/1s13s15r-57-dioxa-12-azapentacyclo105201130210048nonadeca-248916-tetraen-15-ol.jpg "2D Structure of (1S,13S,15R)-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-15-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.20% | 91.11% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 96.77% | 96.77% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.45% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.70% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.78% | 97.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.62% | 90.71% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.81% | 100.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 86.19% | 93.04% |
| CHEMBL238 | Q01959 | Dopamine transporter | 86.02% | 95.88% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.78% | 97.25% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.37% | 89.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.16% | 90.00% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 84.11% | 90.24% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.79% | 86.33% |
| CHEMBL240 | Q12809 | HERG | 83.57% | 89.76% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.36% | 95.89% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 82.31% | 93.40% |
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.
| Crinum jagus |
| Crinum stuhlmannii |
| PubChem | 100929441 |
| LOTUS | LTS0128298 |
| wikiData | Q104169700 |