12-(Hydroxymethyl)-12-methyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecane-7,9,10,13-tetrol
| Internal ID | c9c0965d-77f1-401d-9745-cfb956e7168d |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
| IUPAC Name | 12-(hydroxymethyl)-12-methyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecane-7,9,10,13-tetrol |
| SMILES (Canonical) | CC1(C(CCC23C1C(C(C45C2CCC(C4)C(=C)C5O)(OC3)O)O)O)CO |
| SMILES (Isomeric) | CC1(C(CCC23C1C(C(C45C2CCC(C4)C(=C)C5O)(OC3)O)O)O)CO |
| InChI | InChI=1S/C20H30O6/c1-10-11-3-4-12-18-6-5-13(22)17(2,8-21)14(18)16(24)20(25,26-9-18)19(12,7-11)15(10)23/h11-16,21-25H,1,3-9H2,2H3 |
| InChI Key | CFRRIIVIVFLEEZ-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 | 0.10 |
| There are no found synonyms. |
![2D Structure of 12-(Hydroxymethyl)-12-methyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecane-7,9,10,13-tetrol](https://plantaedb.com/storage/docs/compounds/2023/11/c14095f0-86d4-11ee-98a1-dd88324e445b.jpg "2D Structure of 12-(Hydroxymethyl)-12-methyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecane-7,9,10,13-tetrol")
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.59% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.51% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.74% | 97.09% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 90.27% | 95.50% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 89.95% | 99.43% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.42% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.75% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.33% | 96.09% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 87.09% | 96.38% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.21% | 95.89% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.08% | 94.75% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 85.83% | 95.93% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 85.44% | 96.61% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.12% | 90.17% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 84.86% | 95.38% |
| CHEMBL233 | P35372 | Mu opioid receptor | 84.75% | 97.93% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 84.38% | 97.79% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.82% | 94.45% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 83.80% | 100.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.87% | 96.95% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 82.72% | 89.05% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.62% | 92.94% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.94% | 92.62% |
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 |
| PubChem | 162879009 |
| LOTUS | LTS0040032 |
| wikiData | Q104956905 |