12,12-Dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecane-3,7,9,10,15-pentol
| Internal ID | 6daa865f-c2b4-4167-b2af-dc6c86cb9a09 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
| IUPAC Name | 12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecane-3,7,9,10,15-pentol |
| SMILES (Canonical) | CC1(CCC(C23C1C(C(C45C2C(CC(C4)C(=C)C5O)O)(OC3)O)O)O)C |
| SMILES (Isomeric) | CC1(CCC(C23C1C(C(C45C2C(CC(C4)C(=C)C5O)O)(OC3)O)O)O)C |
| InChI | InChI=1S/C20H30O6/c1-9-10-6-11(21)13-18-8-26-20(25,19(13,7-10)15(9)23)16(24)14(18)17(2,3)5-4-12(18)22/h10-16,21-25H,1,4-8H2,2-3H3 |
| InChI Key | DSHJJLKUJOADCV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H30O6 |
| Molecular Weight | 366.40 g/mol |
| Exact Mass | 366.20423867 g/mol |
| Topological Polar Surface Area (TPSA) | 110.00 Ų |
| XlogP | -0.60 |
| There are no found synonyms. |
![2D Structure of 12,12-Dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecane-3,7,9,10,15-pentol](https://plantaedb.com/storage/docs/compounds/2023/11/1212-dimethyl-6-methylidene-17-oxapentacyclo7621580111028octadecane-3791015-pentol.jpg "2D Structure of 12,12-Dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecane-3,7,9,10,15-pentol")
| 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 | 94.69% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.78% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.36% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.61% | 100.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 87.80% | 95.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.23% | 94.45% |
| CHEMBL1871 | P10275 | Androgen Receptor | 86.61% | 96.43% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 86.51% | 95.38% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.77% | 94.75% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 85.09% | 82.69% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.05% | 95.89% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.39% | 92.94% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.06% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.92% | 97.25% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.27% | 97.14% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 80.52% | 97.79% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.27% | 95.93% |
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 nervosus |
| Isodon rubescens |
| Isodon sculponeatus |
| PubChem | 72988819 |
| LOTUS | LTS0155792 |
| wikiData | Q104987834 |