[(1S,9S,10R,11S,12R)-1,12-dihydroxy-3,5-dimethoxy-9-(4-methoxyphenyl)-10-phenyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-11-yl]-[(2R)-2-methoxypyrrolidin-1-yl]methanone
| Internal ID | 952ff984-3ccc-499a-9ad7-b863f8b03f6c |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 7-O-methylated flavonoids |
| IUPAC Name | [(1S,9S,10R,11S,12R)-1,12-dihydroxy-3,5-dimethoxy-9-(4-methoxyphenyl)-10-phenyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-11-yl]-[(2R)-2-methoxypyrrolidin-1-yl]methanone |
| SMILES (Canonical) | COC1CCCN1C(=O)C2C(C3(C(C2(C4=C(O3)C=C(C=C4OC)OC)O)O)C5=CC=C(C=C5)OC)C6=CC=CC=C6 |
| SMILES (Isomeric) | CO[C@@H]1CCCN1C(=O)[C@H]2[C@@H]([C@@]3([C@@H]([C@]2(C4=C(O3)C=C(C=C4OC)OC)O)O)C5=CC=C(C=C5)OC)C6=CC=CC=C6 |
| InChI | InChI=1S/C32H35NO8/c1-37-21-14-12-20(13-15-21)32-26(19-9-6-5-7-10-19)28(29(34)33-16-8-11-25(33)40-4)31(36,30(32)35)27-23(39-3)17-22(38-2)18-24(27)41-32/h5-7,9-10,12-15,17-18,25-26,28,30,35-36H,8,11,16H2,1-4H3/t25-,26+,28-,30-,31-,32-/m1/s1 |
| InChI Key | OLDQJFAOLFTZIG-RSANRPRZSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H35NO8 |
| Molecular Weight | 561.60 g/mol |
| Exact Mass | 561.23626707 g/mol |
| Topological Polar Surface Area (TPSA) | 107.00 Ų |
| XlogP | 3.30 |
| There are no found synonyms. |
![2D Structure of [(1S,9S,10R,11S,12R)-1,12-dihydroxy-3,5-dimethoxy-9-(4-methoxyphenyl)-10-phenyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-11-yl]-[(2R)-2-methoxypyrrolidin-1-yl]methanone](https://plantaedb.com/storage/docs/compounds/2023/11/42501df0-866d-11ee-9c82-ab3c7efba84c.jpg "2D Structure of [(1S,9S,10R,11S,12R)-1,12-dihydroxy-3,5-dimethoxy-9-(4-methoxyphenyl)-10-phenyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-11-yl]-[(2R)-2-methoxypyrrolidin-1-yl]methanone")
| 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 | 98.54% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.74% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.66% | 95.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 97.43% | 93.99% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 95.76% | 99.18% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.44% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 94.20% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 94.02% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.35% | 86.33% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 90.63% | 97.14% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.56% | 91.19% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.09% | 85.14% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 87.95% | 91.07% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.61% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.18% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.94% | 99.23% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.70% | 92.62% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.82% | 94.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.79% | 93.00% |
| CHEMBL240 | Q12809 | HERG | 84.03% | 89.76% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 83.89% | 97.05% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 83.80% | 100.00% |
| CHEMBL5028 | O14672 | ADAM10 | 82.57% | 97.50% |
| CHEMBL1907599 | P05556 | Integrin alpha-4/beta-1 | 82.52% | 92.86% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.06% | 96.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.89% | 90.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.75% | 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 mariannensis |
| PubChem | 102454772 |
| LOTUS | LTS0197090 |
| wikiData | Q105193920 |