12-(Hydroxymethyl)-6,9-dimethyl-3-propan-2-yltetracyclo[7.5.0.02,6.012,14]tetradecane-7,11-diol
| Internal ID | 2de55ff6-d46f-4874-b72e-2056b0fa1782 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | 12-(hydroxymethyl)-6,9-dimethyl-3-propan-2-yltetracyclo[7.5.0.02,6.012,14]tetradecane-7,11-diol |
| SMILES (Canonical) | CC(C)C1CCC2(C1C3C4CC4(C(CC3(CC2O)C)O)CO)C |
| SMILES (Isomeric) | CC(C)C1CCC2(C1C3C4CC4(C(CC3(CC2O)C)O)CO)C |
| InChI | InChI=1S/C20H34O3/c1-11(2)12-5-6-19(4)14(22)8-18(3)9-15(23)20(10-21)7-13(20)17(18)16(12)19/h11-17,21-23H,5-10H2,1-4H3 |
| InChI Key | JAYDSYVXWHKZDH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H34O3 |
| Molecular Weight | 322.50 g/mol |
| Exact Mass | 322.25079494 g/mol |
| Topological Polar Surface Area (TPSA) | 60.70 Ų |
| XlogP | 3.70 |
| There are no found synonyms. |
![2D Structure of 12-(Hydroxymethyl)-6,9-dimethyl-3-propan-2-yltetracyclo[7.5.0.02,6.012,14]tetradecane-7,11-diol](https://plantaedb.com/storage/docs/compounds/2023/11/12-hydroxymethyl-69-dimethyl-3-propan-2-yltetracyclo75002601214tetradecane-711-diol.jpg "2D Structure of 12-(Hydroxymethyl)-6,9-dimethyl-3-propan-2-yltetracyclo[7.5.0.02,6.012,14]tetradecane-7,11-diol")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.32% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 96.02% | 90.17% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 95.67% | 96.38% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.76% | 97.25% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 92.63% | 98.10% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 92.52% | 96.61% |
| CHEMBL204 | P00734 | Thrombin | 91.79% | 96.01% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 90.85% | 94.75% |
| CHEMBL1871 | P10275 | Androgen Receptor | 89.61% | 96.43% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 88.73% | 95.93% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.23% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.19% | 97.09% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 85.79% | 92.86% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 85.76% | 97.47% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.41% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.35% | 94.45% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 84.83% | 97.79% |
| CHEMBL2815 | P04629 | Nerve growth factor receptor Trk-A | 83.36% | 87.16% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.21% | 95.89% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 83.00% | 98.03% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 82.79% | 96.77% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.64% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.41% | 91.11% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.91% | 96.95% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.75% | 95.50% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.52% | 96.47% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 80.13% | 98.05% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.04% | 82.69% |
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.
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| There are no matching plants. |
| PubChem | 73837690 |
| LOTUS | LTS0154802 |
| wikiData | Q104169348 |