[3-[(8aS)-7-(3-hydroxy-4-methoxyphenyl)-8a-methyl-2,3,5,8-tetrahydro-1H-indolizin-6-yl]phenyl] acetate
| Internal ID | 0086db9f-6f48-4db5-94b2-6a07b39cba60 |
| Taxonomy | Phenylpropanoids and polyketides > Stilbenes |
| IUPAC Name | [3-[(8aS)-7-(3-hydroxy-4-methoxyphenyl)-8a-methyl-2,3,5,8-tetrahydro-1H-indolizin-6-yl]phenyl] acetate |
| SMILES (Canonical) | CC(=O)OC1=CC=CC(=C1)C2=C(CC3(CCCN3C2)C)C4=CC(=C(C=C4)OC)O |
| SMILES (Isomeric) | CC(=O)OC1=CC=CC(=C1)C2=C(C[C@@]3(CCCN3C2)C)C4=CC(=C(C=C4)OC)O |
| InChI | InChI=1S/C24H27NO4/c1-16(26)29-19-7-4-6-17(12-19)21-15-25-11-5-10-24(25,2)14-20(21)18-8-9-23(28-3)22(27)13-18/h4,6-9,12-13,27H,5,10-11,14-15H2,1-3H3/t24-/m0/s1 |
| InChI Key | NXAUETMHJIPRPU-DEOSSOPVSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H27NO4 |
| Molecular Weight | 393.50 g/mol |
| Exact Mass | 393.19400834 g/mol |
| Topological Polar Surface Area (TPSA) | 59.00 Ų |
| XlogP | 3.40 |
| There are no found synonyms. |
![2D Structure of [3-[(8aS)-7-(3-hydroxy-4-methoxyphenyl)-8a-methyl-2,3,5,8-tetrahydro-1H-indolizin-6-yl]phenyl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/f7898350-8714-11ee-b9a5-5fcf018f8d16.jpg "2D Structure of [3-[(8aS)-7-(3-hydroxy-4-methoxyphenyl)-8a-methyl-2,3,5,8-tetrahydro-1H-indolizin-6-yl]phenyl] 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 | 98.94% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.08% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.57% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.16% | 94.45% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 95.12% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.13% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.17% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.83% | 94.00% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 91.16% | 90.20% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.09% | 99.15% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.66% | 92.94% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 87.43% | 97.53% |
| CHEMBL2083 | P15090 | Fatty acid binding protein adipocyte | 86.87% | 95.71% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.93% | 98.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.38% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.05% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.90% | 89.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.07% | 97.14% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.50% | 91.19% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.48% | 94.75% |
| CHEMBL1907599 | P05556 | Integrin alpha-4/beta-1 | 80.07% | 92.86% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.02% | 90.00% |
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.
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| There are no matching plants. |
| PubChem | 101831586 |
| LOTUS | LTS0134795 |
| wikiData | Q105186902 |