[6-acetyloxy-8a-hydroxy-7-(3-methoxy-3-oxoprop-1-en-2-yl)-4a-methyl-1-methylidene-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl] 2-methylpropanoate
| Internal ID | 8741c7a9-3730-458f-bd56-f51fa0a046a5 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids |
| IUPAC Name | [6-acetyloxy-8a-hydroxy-7-(3-methoxy-3-oxoprop-1-en-2-yl)-4a-methyl-1-methylidene-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl] 2-methylpropanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H32O7/c1-12(2)19(24)29-17-8-9-21(6)11-18(28-15(5)23)16(13(3)20(25)27-7)10-22(21,26)14(17)4/h12,16-18,26H,3-4,8-11H2,1-2,5-7H3 |
| InChI Key | DILXAEZKTBFCGZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H32O7 |
| Molecular Weight | 408.50 g/mol |
| Exact Mass | 408.21480336 g/mol |
| Topological Polar Surface Area (TPSA) | 99.10 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of [6-acetyloxy-8a-hydroxy-7-(3-methoxy-3-oxoprop-1-en-2-yl)-4a-methyl-1-methylidene-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl] 2-methylpropanoate](https://plantaedb.com/storage/docs/compounds/2023/11/f65b7cb0-856e-11ee-81e6-019bf27be95c.jpg "2D Structure of [6-acetyloxy-8a-hydroxy-7-(3-methoxy-3-oxoprop-1-en-2-yl)-4a-methyl-1-methylidene-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl] 2-methylpropanoate")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.76% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.13% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.05% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.06% | 85.14% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.89% | 91.19% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.12% | 90.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.25% | 97.25% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.82% | 92.62% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 87.76% | 96.38% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 86.51% | 95.71% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.03% | 97.14% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 84.90% | 89.50% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 84.61% | 95.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.92% | 95.89% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.05% | 94.33% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.96% | 100.00% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 81.02% | 80.96% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.94% | 96.47% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.87% | 98.95% |
| CHEMBL5028 | O14672 | ADAM10 | 80.85% | 97.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.64% | 99.23% |
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.
| Eriocephalus pauperrimus |
| PubChem | 13895667 |
| LOTUS | LTS0079985 |
| wikiData | Q104981484 |