1,8b-Dihydroxy-3a-(3-hydroxy-4-methoxyphenyl)-6,8-dimethoxy-3-phenyl-1,2,3,4-tetrahydrocyclopenta[a]indene-2-carboxamide
| Internal ID | be202dc3-2a00-4ac7-ab18-ec6c7c6f2041 |
| Taxonomy | Phenylpropanoids and polyketides > Stilbenes |
| IUPAC Name | 1,8b-dihydroxy-3a-(3-hydroxy-4-methoxyphenyl)-6,8-dimethoxy-3-phenyl-1,2,3,4-tetrahydrocyclopenta[a]indene-2-carboxamide |
| SMILES (Canonical) | COC1=C(C=C(C=C1)C23CC4=C(C2(C(C(C3C5=CC=CC=C5)C(=O)N)O)O)C(=CC(=C4)OC)OC)O |
| SMILES (Isomeric) | COC1=C(C=C(C=C1)C23CC4=C(C2(C(C(C3C5=CC=CC=C5)C(=O)N)O)O)C(=CC(=C4)OC)OC)O |
| InChI | InChI=1S/C28H29NO7/c1-34-18-11-16-14-27(17-9-10-20(35-2)19(30)12-17)24(15-7-5-4-6-8-15)22(26(29)32)25(31)28(27,33)23(16)21(13-18)36-3/h4-13,22,24-25,30-31,33H,14H2,1-3H3,(H2,29,32) |
| InChI Key | PNWNNNIPNHREEG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H29NO7 |
| Molecular Weight | 491.50 g/mol |
| Exact Mass | 491.19440226 g/mol |
| Topological Polar Surface Area (TPSA) | 132.00 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of 1,8b-Dihydroxy-3a-(3-hydroxy-4-methoxyphenyl)-6,8-dimethoxy-3-phenyl-1,2,3,4-tetrahydrocyclopenta[a]indene-2-carboxamide](https://plantaedb.com/storage/docs/compounds/2023/11/edacb520-861d-11ee-9e94-2df7b65d9001.jpg "2D Structure of 1,8b-Dihydroxy-3a-(3-hydroxy-4-methoxyphenyl)-6,8-dimethoxy-3-phenyl-1,2,3,4-tetrahydrocyclopenta[a]indene-2-carboxamide")
| 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 | 98.95% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.27% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.54% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.90% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.20% | 95.89% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.18% | 91.19% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 88.79% | 91.07% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.99% | 98.95% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.92% | 96.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.25% | 99.15% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.78% | 99.23% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.69% | 96.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.15% | 94.45% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.88% | 97.14% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.78% | 98.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.66% | 97.09% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 83.21% | 94.08% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.39% | 92.94% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 82.27% | 100.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.24% | 94.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.18% | 93.03% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.73% | 95.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.05% | 89.00% |
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.
| Aglaia odorata |
| PubChem | 162939241 |
| LOTUS | LTS0072823 |
| wikiData | Q105212245 |