[1-Hydroxy-10-[2-[(2-hydroxy-2-methylbutanoyl)amino]pyrrolidine-1-carbonyl]-3,5-dimethoxy-9-(4-methoxyphenyl)-11-phenyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-12-yl] acetate
| Internal ID | c556383c-91ec-4dc3-94f6-3bbb3f88c5b1 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 7-O-methylated flavonoids |
| IUPAC Name | [1-hydroxy-10-[2-[(2-hydroxy-2-methylbutanoyl)amino]pyrrolidine-1-carbonyl]-3,5-dimethoxy-9-(4-methoxyphenyl)-11-phenyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-12-yl] acetate |
| SMILES (Canonical) | CCC(C)(C(=O)NC1CCCN1C(=O)C2C(C3(C(C2(OC4=C3C(=CC(=C4)OC)OC)C5=CC=C(C=C5)OC)OC(=O)C)O)C6=CC=CC=C6)O |
| SMILES (Isomeric) | CCC(C)(C(=O)NC1CCCN1C(=O)C2C(C3(C(C2(OC4=C3C(=CC(=C4)OC)OC)C5=CC=C(C=C5)OC)OC(=O)C)O)C6=CC=CC=C6)O |
| InChI | InChI=1S/C38H44N2O10/c1-7-36(3,44)35(43)39-29-14-11-19-40(29)33(42)32-30(23-12-9-8-10-13-23)37(45)31-27(48-6)20-26(47-5)21-28(31)50-38(32,34(37)49-22(2)41)24-15-17-25(46-4)18-16-24/h8-10,12-13,15-18,20-21,29-30,32,34,44-45H,7,11,14,19H2,1-6H3,(H,39,43) |
| InChI Key | RYEBRWASMXDOFK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C38H44N2O10 |
| Molecular Weight | 688.80 g/mol |
| Exact Mass | 688.29959560 g/mol |
| Topological Polar Surface Area (TPSA) | 153.00 Ų |
| XlogP | 3.80 |
| There are no found synonyms. |
![2D Structure of [1-Hydroxy-10-[2-[(2-hydroxy-2-methylbutanoyl)amino]pyrrolidine-1-carbonyl]-3,5-dimethoxy-9-(4-methoxyphenyl)-11-phenyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-12-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/cfc46d30-8535-11ee-9157-0d40c180959c.jpg "2D Structure of [1-Hydroxy-10-[2-[(2-hydroxy-2-methylbutanoyl)amino]pyrrolidine-1-carbonyl]-3,5-dimethoxy-9-(4-methoxyphenyl)-11-phenyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-12-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.61% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.17% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.92% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.86% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.35% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 93.84% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 92.66% | 97.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.38% | 95.56% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 91.56% | 99.18% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 91.29% | 92.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.79% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.71% | 99.23% |
| CHEMBL5028 | O14672 | ADAM10 | 87.91% | 97.50% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.46% | 90.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.13% | 94.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.96% | 99.17% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.34% | 91.19% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.26% | 95.89% |
| CHEMBL1907599 | P05556 | Integrin alpha-4/beta-1 | 83.38% | 92.86% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.81% | 89.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.45% | 96.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.17% | 97.25% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 81.37% | 97.05% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.20% | 97.09% |
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 laxiflora |
| Conospermum sphacelatum |
| Packera clevelandii |
| PubChem | 73657039 |
| LOTUS | LTS0082615 |
| wikiData | Q105381916 |