(1R,6R)-3-[3-(3,4-dimethoxyphenyl)propanoyl]-7-oxa-3-azabicyclo[4.1.0]heptan-2-one
| Internal ID | e4b23b22-ce9a-4071-a1ba-ec2d9b1adc5d |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Methoxybenzenes > Dimethoxybenzenes |
| IUPAC Name | (1R,6R)-3-[3-(3,4-dimethoxyphenyl)propanoyl]-7-oxa-3-azabicyclo[4.1.0]heptan-2-one |
| SMILES (Canonical) | COC1=C(C=C(C=C1)CCC(=O)N2CCC3C(C2=O)O3)OC |
| SMILES (Isomeric) | COC1=C(C=C(C=C1)CCC(=O)N2CC[C@@H]3[C@H](C2=O)O3)OC |
| InChI | InChI=1S/C16H19NO5/c1-20-11-5-3-10(9-13(11)21-2)4-6-14(18)17-8-7-12-15(22-12)16(17)19/h3,5,9,12,15H,4,6-8H2,1-2H3/t12-,15-/m1/s1 |
| InChI Key | ADMMSMMDSKVRQA-IUODEOHRSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C16H19NO5 |
| Molecular Weight | 305.32 g/mol |
| Exact Mass | 305.12632271 g/mol |
| Topological Polar Surface Area (TPSA) | 68.40 Ų |
| XlogP | 1.20 |
| There are no found synonyms. |
![2D Structure of (1R,6R)-3-[3-(3,4-dimethoxyphenyl)propanoyl]-7-oxa-3-azabicyclo[4.1.0]heptan-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/1r6r-3-3-34-dimethoxyphenylpropanoyl-7-oxa-3-azabicyclo410heptan-2-one.jpg "2D Structure of (1R,6R)-3-[3-(3,4-dimethoxyphenyl)propanoyl]-7-oxa-3-azabicyclo[4.1.0]heptan-2-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.23% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.35% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.40% | 86.33% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.46% | 97.25% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.79% | 95.89% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.53% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.89% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.25% | 99.17% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 91.05% | 92.94% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.16% | 91.11% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.85% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.49% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.86% | 90.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.74% | 97.14% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.92% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.67% | 92.62% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.44% | 100.00% |
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.
| Piper melanocladum |
| Piper tuberculatum |
| PubChem | 162416051 |
| LOTUS | LTS0089186 |
| wikiData | Q104909676 |