9,9,14,14-Tetramethyl-19-methylidene-5,13,15-trioxahexacyclo[16.2.1.01,6.02,16.03,8.03,12]henicosane-6,7,20-triol
| Internal ID | 336f3298-ad74-4d3e-9cf8-5dc9699a29d6 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
| IUPAC Name | 9,9,14,14-tetramethyl-19-methylidene-5,13,15-trioxahexacyclo[16.2.1.01,6.02,16.03,8.03,12]henicosane-6,7,20-triol |
| SMILES (Canonical) | CC1(CCC2C34C1C(C(C56C3C(CC(C5)C(=C)C6O)OC(O2)(C)C)(OC4)O)O)C |
| SMILES (Isomeric) | CC1(CCC2C34C1C(C(C56C3C(CC(C5)C(=C)C6O)OC(O2)(C)C)(OC4)O)O)C |
| InChI | InChI=1S/C23H34O6/c1-11-12-8-13-15-21-10-27-23(26,22(15,9-12)17(11)24)18(25)16(21)19(2,3)7-6-14(21)29-20(4,5)28-13/h12-18,24-26H,1,6-10H2,2-5H3 |
| InChI Key | SWSXUNGOPTYIGL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H34O6 |
| Molecular Weight | 406.50 g/mol |
| Exact Mass | 406.23553880 g/mol |
| Topological Polar Surface Area (TPSA) | 88.40 Ų |
| XlogP | 1.00 |
| There are no found synonyms. |
![2D Structure of 9,9,14,14-Tetramethyl-19-methylidene-5,13,15-trioxahexacyclo[16.2.1.01,6.02,16.03,8.03,12]henicosane-6,7,20-triol](https://plantaedb.com/storage/docs/compounds/2023/11/95e86960-8752-11ee-af97-750238135e08.jpg "2D Structure of 9,9,14,14-Tetramethyl-19-methylidene-5,13,15-trioxahexacyclo[16.2.1.01,6.02,16.03,8.03,12]henicosane-6,7,20-triol")
| 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 | 95.38% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.17% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.72% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.46% | 100.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.65% | 90.17% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 89.15% | 96.61% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.67% | 94.45% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 88.45% | 95.50% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.15% | 91.49% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 87.00% | 95.38% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.97% | 97.14% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.31% | 94.75% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.02% | 92.94% |
| CHEMBL1871 | P10275 | Androgen Receptor | 83.75% | 96.43% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.72% | 95.89% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 80.99% | 97.47% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 80.55% | 98.99% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 80.45% | 89.63% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.26% | 93.03% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 80.20% | 100.00% |
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 rubescens |
| Isodon wikstroemioides |
| PubChem | 76837255 |
| LOTUS | LTS0085919 |
| wikiData | Q104398892 |