Crinan, 3alpha-methoxy-
| Internal ID | fe9ab649-05b1-4a24-8362-d47412c13836 |
| Taxonomy | Alkaloids and derivatives > Amaryllidaceae alkaloids > Crinine- and Haemanthamine-type amaryllidaceae alkaloids |
| IUPAC Name | 15-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9-triene |
| SMILES (Canonical) | COC1CCC23CCN(C2C1)CC4=CC5=C(C=C34)OCO5 |
| SMILES (Isomeric) | COC1CCC23CCN(C2C1)CC4=CC5=C(C=C34)OCO5 |
| InChI | InChI=1S/C17H21NO3/c1-19-12-2-3-17-4-5-18(16(17)7-12)9-11-6-14-15(8-13(11)17)21-10-20-14/h6,8,12,16H,2-5,7,9-10H2,1H3 |
| InChI Key | LKAUCYJQKPWYRZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H21NO3 |
| Molecular Weight | 287.35 g/mol |
| Exact Mass | 287.15214353 g/mol |
| Topological Polar Surface Area (TPSA) | 30.90 Ų |
| XlogP | 2.40 |
| Dihydrobuphanisine |
| 3-Methoxycrinan # |
| (+)-Dihydro-buphanisine |
| LKAUCYJQKPWYRZ-UHFFFAOYSA-N |
| Crinan, 3-methoxy-, (3.alpha.)- |
| 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 |
|---|---|---|---|---|
| CHEMBL240 | Q12809 | HERG | 97.79% | 89.76% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.29% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.25% | 91.11% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 94.06% | 96.77% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.54% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.75% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.56% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.67% | 92.62% |
| CHEMBL233 | P35372 | Mu opioid receptor | 87.55% | 97.93% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.26% | 100.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 85.98% | 93.04% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 85.65% | 93.40% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.77% | 86.33% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 84.11% | 80.96% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 84.05% | 91.03% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 83.56% | 90.24% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.41% | 90.00% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 82.32% | 99.18% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 82.32% | 94.80% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.00% | 90.71% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.75% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.61% | 97.25% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.25% | 89.62% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 80.29% | 82.38% |
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.
| Ammocharis tinneana |
| PubChem | 625509 |
| LOTUS | LTS0086146 |
| wikiData | Q105152938 |