(2R,9R)-6,8-dimethoxy-9-(methylamino)-2-prop-1-en-2-yl-1,2,3,9-tetrahydrocyclopenta[b]naphthalen-4-one
| Internal ID | d34e818c-49c5-4295-893f-699d462957b7 |
| Taxonomy | Benzenoids > Naphthalenes |
| IUPAC Name | (2R,9R)-6,8-dimethoxy-9-(methylamino)-2-prop-1-en-2-yl-1,2,3,9-tetrahydrocyclopenta[b]naphthalen-4-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H23NO3/c1-10(2)11-6-13-14(7-11)19(21)15-8-12(22-4)9-16(23-5)17(15)18(13)20-3/h8-9,11,18,20H,1,6-7H2,2-5H3/t11-,18-/m1/s1 |
| InChI Key | OMBQGHSVPYWQNP-ADLMAVQZSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C19H23NO3 |
| Molecular Weight | 313.40 g/mol |
| Exact Mass | 313.16779360 g/mol |
| Topological Polar Surface Area (TPSA) | 47.60 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
![2D Structure of (2R,9R)-6,8-dimethoxy-9-(methylamino)-2-prop-1-en-2-yl-1,2,3,9-tetrahydrocyclopenta[b]naphthalen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/c1e16600-866e-11ee-9f5c-4fe64a617df4.jpg "2D Structure of (2R,9R)-6,8-dimethoxy-9-(methylamino)-2-prop-1-en-2-yl-1,2,3,9-tetrahydrocyclopenta[b]naphthalen-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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.21% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.25% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.65% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.15% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.87% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.07% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.84% | 95.89% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 85.11% | 82.69% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.78% | 92.94% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.71% | 94.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.52% | 91.19% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.82% | 97.14% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.06% | 90.71% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.41% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.94% | 86.33% |
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.
| Ptelea trifoliata |
| PubChem | 162948059 |
| LOTUS | LTS0219096 |
| wikiData | Q105194269 |