[8b-hydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-2-(methylcarbamoyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-1-yl] acetate
| Internal ID | 173dbbbb-1c74-4809-8737-c2487a63a484 |
| Taxonomy | Organoheterocyclic compounds > Benzofurans > Flavaglines |
| IUPAC Name | [8b-hydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-2-(methylcarbamoyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-1-yl] acetate |
| SMILES (Canonical) | CC(=O)OC1C(C(C2(C1(C3=C(O2)C=C(C=C3OC)OC)O)C4=CC=C(C=C4)OC)C5=CC=CC=C5)C(=O)NC |
| SMILES (Isomeric) | CC(=O)OC1C(C(C2(C1(C3=C(O2)C=C(C=C3OC)OC)O)C4=CC=C(C=C4)OC)C5=CC=CC=C5)C(=O)NC |
| InChI | InChI=1S/C30H31NO8/c1-17(32)38-27-24(28(33)31-2)25(18-9-7-6-8-10-18)30(19-11-13-20(35-3)14-12-19)29(27,34)26-22(37-5)15-21(36-4)16-23(26)39-30/h6-16,24-25,27,34H,1-5H3,(H,31,33) |
| InChI Key | HYOMTNPQTWGEHI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H31NO8 |
| Molecular Weight | 533.60 g/mol |
| Exact Mass | 533.20496695 g/mol |
| Topological Polar Surface Area (TPSA) | 113.00 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
![2D Structure of [8b-hydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-2-(methylcarbamoyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-1-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/6b832ac0-85cb-11ee-bc7a-8560ef71e6b2.jpg "2D Structure of [8b-hydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-2-(methylcarbamoyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-1-yl] acetate")
| 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 | 98.98% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.77% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.97% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.16% | 95.56% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 94.11% | 95.50% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 92.77% | 97.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 92.36% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.83% | 86.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 91.18% | 91.19% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 89.55% | 89.44% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.03% | 98.95% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.88% | 92.62% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.23% | 96.00% |
| CHEMBL5028 | O14672 | ADAM10 | 85.51% | 97.50% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.00% | 98.75% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.45% | 96.95% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.13% | 91.07% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.90% | 94.00% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 83.39% | 94.08% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 82.50% | 97.21% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.81% | 99.23% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.19% | 99.17% |
| CHEMBL256 | P0DMS8 | Adenosine A3 receptor | 80.76% | 95.93% |
| CHEMBL2803 | P43403 | Tyrosine-protein kinase ZAP-70 | 80.15% | 82.50% |
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 | 73819959 |
| LOTUS | LTS0214207 |
| wikiData | Q105035397 |