[7-Acetyloxy-15-(1-methoxy-1-oxopropan-2-yl)-3,8,12-trimethyl-4,16-dioxatetracyclo[10.3.1.02,8.03,5]hexadeca-1(15),13-dien-9-yl] butanoate
| Internal ID | 9df5cde3-6477-45ab-bf0a-ff3f818ac874 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Briarane diterpenoids |
| IUPAC Name | [7-acetyloxy-15-(1-methoxy-1-oxopropan-2-yl)-3,8,12-trimethyl-4,16-dioxatetracyclo[10.3.1.02,8.03,5]hexadeca-1(15),13-dien-9-yl] butanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H38O8/c1-8-9-21(29)33-18-11-13-25(4)12-10-17(15(2)24(30)31-7)22(35-25)23-26(18,5)19(32-16(3)28)14-20-27(23,6)34-20/h10,12,15,18-20,23H,8-9,11,13-14H2,1-7H3 |
| InChI Key | HKJMZSALOJLVJB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H38O8 |
| Molecular Weight | 490.60 g/mol |
| Exact Mass | 490.25666817 g/mol |
| Topological Polar Surface Area (TPSA) | 101.00 Ų |
| XlogP | 3.30 |
| There are no found synonyms. |
![2D Structure of [7-Acetyloxy-15-(1-methoxy-1-oxopropan-2-yl)-3,8,12-trimethyl-4,16-dioxatetracyclo[10.3.1.02,8.03,5]hexadeca-1(15),13-dien-9-yl] butanoate](https://plantaedb.com/storage/docs/compounds/2023/11/0317afc0-86c1-11ee-b20b-c160adfda281.jpg "2D Structure of [7-Acetyloxy-15-(1-methoxy-1-oxopropan-2-yl)-3,8,12-trimethyl-4,16-dioxatetracyclo[10.3.1.02,8.03,5]hexadeca-1(15),13-dien-9-yl] butanoate")
| 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 | 99.37% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.48% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.29% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 97.08% | 90.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.05% | 94.45% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 94.79% | 92.62% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.25% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.16% | 98.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 91.05% | 91.19% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 90.48% | 97.79% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.39% | 97.09% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 90.04% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.94% | 95.89% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 88.86% | 97.28% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.55% | 89.00% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 86.50% | 98.03% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.43% | 97.14% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.38% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.35% | 99.17% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 83.54% | 97.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.01% | 99.23% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 82.46% | 92.50% |
| CHEMBL5028 | O14672 | ADAM10 | 81.24% | 97.50% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 81.04% | 82.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.94% | 95.56% |
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.
| There are no matching plants. |
| PubChem | 73818034 |
| LOTUS | LTS0214521 |
| wikiData | Q105029696 |