(7-Acetyloxy-9-hydroxy-12,12-dimethyl-6-methylidene-15-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-10-yl) acetate
| Internal ID | 863916ff-4ee6-46ed-a1d7-c06f2cb0f801 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
| IUPAC Name | (7-acetyloxy-9-hydroxy-12,12-dimethyl-6-methylidene-15-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-10-yl) acetate |
| SMILES (Canonical) | CC(=O)OC1C2C(CCC(=O)C23COC1(C45C3CCC(C4)C(=C)C5OC(=O)C)O)(C)C |
| SMILES (Isomeric) | CC(=O)OC1C2C(CCC(=O)C23COC1(C45C3CCC(C4)C(=C)C5OC(=O)C)O)(C)C |
| InChI | InChI=1S/C24H32O7/c1-12-15-6-7-16-22-11-29-24(28,23(16,10-15)19(12)30-13(2)25)20(31-14(3)26)18(22)21(4,5)9-8-17(22)27/h15-16,18-20,28H,1,6-11H2,2-5H3 |
| InChI Key | IVTBULZNEMBMJG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H32O7 |
| Molecular Weight | 432.50 g/mol |
| Exact Mass | 432.21480336 g/mol |
| Topological Polar Surface Area (TPSA) | 99.10 Ų |
| XlogP | 1.60 |
| There are no found synonyms. |
![2D Structure of (7-Acetyloxy-9-hydroxy-12,12-dimethyl-6-methylidene-15-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-10-yl) acetate](https://plantaedb.com/storage/docs/compounds/2023/11/71f68760-8607-11ee-b94a-bd3e1f043ef3.jpg "2D Structure of (7-Acetyloxy-9-hydroxy-12,12-dimethyl-6-methylidene-15-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-10-yl) 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.15% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.08% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.04% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.02% | 98.95% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 92.45% | 96.38% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 90.57% | 94.75% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.51% | 91.19% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.04% | 82.69% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.73% | 97.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 87.38% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.97% | 96.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.28% | 92.94% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 85.21% | 91.24% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 84.94% | 95.38% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 84.58% | 89.50% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.85% | 92.62% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.77% | 97.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.67% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.09% | 94.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.26% | 100.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.51% | 93.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 81.02% | 97.79% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.41% | 96.77% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 80.07% | 82.50% |
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.
| Isodon eriocalyx |
| Isodon longitubus |
| PubChem | 14106496 |
| LOTUS | LTS0176866 |
| wikiData | Q105121280 |