[(1R,2S,3R,4S,7S,8R,9R)-9-acetyloxy-12-(acetyloxymethyl)-3-methylspiro[10-oxatricyclo[6.4.0.02,4]dodec-11-ene-7,2'-oxirane]-3-yl]methyl (Z)-dec-4-enoate
| Internal ID | 05e19d91-ef6d-40aa-90fa-eb2648e5fb2c |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Aromadendrane sesquiterpenoids |
| IUPAC Name | [(1R,2S,3R,4S,7S,8R,9R)-9-acetyloxy-12-(acetyloxymethyl)-3-methylspiro[10-oxatricyclo[6.4.0.02,4]dodec-11-ene-7,2'-oxirane]-3-yl]methyl (Z)-dec-4-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C29H42O8/c1-5-6-7-8-9-10-11-12-23(32)35-17-28(4)22-13-14-29(18-36-29)26-24(25(22)28)21(15-33-19(2)30)16-34-27(26)37-20(3)31/h9-10,16,22,24-27H,5-8,11-15,17-18H2,1-4H3/b10-9-/t22-,24+,25-,26-,27+,28+,29+/m0/s1 |
| InChI Key | IOFQFVXNNAGUJG-DDNYPZRKSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C29H42O8 |
| Molecular Weight | 518.60 g/mol |
| Exact Mass | 518.28796829 g/mol |
| Topological Polar Surface Area (TPSA) | 101.00 Ų |
| XlogP | 4.30 |
| There are no found synonyms. |
![2D Structure of [(1R,2S,3R,4S,7S,8R,9R)-9-acetyloxy-12-(acetyloxymethyl)-3-methylspiro[10-oxatricyclo[6.4.0.02,4]dodec-11-ene-7,2'-oxirane]-3-yl]methyl (Z)-dec-4-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/b7e065c0-8753-11ee-9ba7-f7445115e321.jpg "2D Structure of [(1R,2S,3R,4S,7S,8R,9R)-9-acetyloxy-12-(acetyloxymethyl)-3-methylspiro[10-oxatricyclo[6.4.0.02,4]dodec-11-ene-7,2'-oxirane]-3-yl]methyl (Z)-dec-4-enoate")
| 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 | 97.85% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.43% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.26% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.64% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.49% | 98.95% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 94.97% | 89.63% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.41% | 90.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.13% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.09% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.32% | 89.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 89.86% | 100.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 87.86% | 92.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.46% | 86.33% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 87.30% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.99% | 91.19% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.53% | 82.69% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.57% | 95.89% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 85.42% | 96.00% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 85.35% | 97.28% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.32% | 100.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 84.93% | 97.79% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 83.85% | 98.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.75% | 99.23% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.10% | 95.50% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 80.69% | 95.71% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.54% | 94.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.29% | 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.
| Plagiochila porelloides |
| PubChem | 101675245 |
| LOTUS | LTS0097379 |
| wikiData | Q105116625 |