(1R,2R,3S,6S,9S,12S,14S)-3-hydroxy-6,9,12-trimethyl-3-propan-2-yltetracyclo[7.5.0.02,6.012,14]tetradecan-11-one
| Internal ID | 16cc01ce-9406-4249-8ae6-dc5d381e6b70 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (1R,2R,3S,6S,9S,12S,14S)-3-hydroxy-6,9,12-trimethyl-3-propan-2-yltetracyclo[7.5.0.02,6.012,14]tetradecan-11-one |
| SMILES (Canonical) | CC(C)C1(CCC2(C1C3C4CC4(C(=O)CC3(CC2)C)C)C)O |
| SMILES (Isomeric) | CC(C)[C@]1(CC[C@]2([C@H]1[C@H]3[C@@H]4C[C@@]4(C(=O)C[C@@]3(CC2)C)C)C)O |
| InChI | InChI=1S/C20H32O2/c1-12(2)20(22)9-8-17(3)6-7-18(4)11-14(21)19(5)10-13(19)15(18)16(17)20/h12-13,15-16,22H,6-11H2,1-5H3/t13-,15+,16+,17-,18-,19-,20-/m0/s1 |
| InChI Key | RAVOUKJQZMYTKL-DXFHCHAVSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H32O2 |
| Molecular Weight | 304.50 g/mol |
| Exact Mass | 304.240230259 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 4.20 |
| There are no found synonyms. |
![2D Structure of (1R,2R,3S,6S,9S,12S,14S)-3-hydroxy-6,9,12-trimethyl-3-propan-2-yltetracyclo[7.5.0.02,6.012,14]tetradecan-11-one](https://plantaedb.com/storage/docs/compounds/2023/11/d4bed4b0-871b-11ee-a859-3df8e77acc0e.jpg "2D Structure of (1R,2R,3S,6S,9S,12S,14S)-3-hydroxy-6,9,12-trimethyl-3-propan-2-yltetracyclo[7.5.0.02,6.012,14]tetradecan-11-one")
| 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 | 96.62% | 97.25% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 93.43% | 94.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.72% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.48% | 96.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 91.05% | 82.69% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.39% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.04% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.46% | 90.17% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 84.71% | 98.03% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.60% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.91% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.87% | 85.14% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.44% | 100.00% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 81.40% | 85.30% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.14% | 93.03% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 80.68% | 95.71% |
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.
| Fossombronia alaskana |
| PubChem | 102066441 |
| LOTUS | LTS0196886 |
| wikiData | Q105232900 |