(12-Acetyloxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-yl) 3-(4-hydroxy-3-methoxyphenyl)propanoate
| Internal ID | a7ccc412-4a13-4175-a3b8-8c36c65f86f1 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | (12-acetyloxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-yl) 3-(4-hydroxy-3-methoxyphenyl)propanoate |
| SMILES (Canonical) | CC1CC2C3CCCN4C3(C1)C(CCC4)C(C2OC(=O)C)OC(=O)CCC5=CC(=C(C=C5)O)OC |
| SMILES (Isomeric) | CC1CC2C3CCCN4C3(C1)C(CCC4)C(C2OC(=O)C)OC(=O)CCC5=CC(=C(C=C5)O)OC |
| InChI | InChI=1S/C28H39NO6/c1-17-14-20-21-6-4-12-29-13-5-7-22(28(21,29)16-17)27(26(20)34-18(2)30)35-25(32)11-9-19-8-10-23(31)24(15-19)33-3/h8,10,15,17,20-22,26-27,31H,4-7,9,11-14,16H2,1-3H3 |
| InChI Key | RRMQRYDHWSWYHI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H39NO6 |
| Molecular Weight | 485.60 g/mol |
| Exact Mass | 485.27773796 g/mol |
| Topological Polar Surface Area (TPSA) | 85.30 Ų |
| XlogP | 4.40 |
| There are no found synonyms. |
![2D Structure of (12-Acetyloxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-yl) 3-(4-hydroxy-3-methoxyphenyl)propanoate](https://plantaedb.com/storage/docs/compounds/2023/11/8de50bb0-85ac-11ee-945f-f92846f35bc8.jpg "2D Structure of (12-Acetyloxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-yl) 3-(4-hydroxy-3-methoxyphenyl)propanoate")
| 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 | 99.65% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.14% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.86% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.15% | 97.25% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 95.93% | 95.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.87% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.01% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.76% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.49% | 95.89% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.93% | 92.94% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.03% | 82.69% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.76% | 90.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.30% | 94.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.51% | 100.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.14% | 89.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.13% | 97.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.45% | 99.15% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.91% | 95.56% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.12% | 91.19% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.06% | 92.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.63% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.51% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.51% | 98.75% |
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.
| Huperzia serrata |
| PubChem | 73119330 |
| LOTUS | LTS0202093 |
| wikiData | Q105244228 |