[(1S,4S,5R,9S,10S,13R)-14-(hydroperoxymethyl)-5,9-dimethyl-5-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl]methanol
| Internal ID | 97ed0464-a03e-4dd1-8534-a6c97fd46809 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
| IUPAC Name | [(1S,4S,5R,9S,10S,13R)-14-(hydroperoxymethyl)-5,9-dimethyl-5-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl]methanol |
| SMILES (Canonical) | CC1(CCCC2(C1CCC34C2CCC(C3)C(=C4)COO)C)CO |
| SMILES (Isomeric) | C[C@]1(CCC[C@@]2([C@@H]1CC[C@]34[C@H]2CC[C@H](C3)C(=C4)COO)C)CO |
| InChI | InChI=1S/C20H32O3/c1-18(13-21)7-3-8-19(2)16(18)6-9-20-10-14(4-5-17(19)20)15(11-20)12-23-22/h11,14,16-17,21-22H,3-10,12-13H2,1-2H3/t14-,16-,17+,18+,19-,20+/m1/s1 |
| InChI Key | UEDUPDORWMKTOQ-CWFFCZEZSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H32O3 |
| Molecular Weight | 320.50 g/mol |
| Exact Mass | 320.23514488 g/mol |
| Topological Polar Surface Area (TPSA) | 49.70 Ų |
| XlogP | 4.30 |
| There are no found synonyms. |
![2D Structure of [(1S,4S,5R,9S,10S,13R)-14-(hydroperoxymethyl)-5,9-dimethyl-5-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl]methanol](https://plantaedb.com/storage/docs/compounds/2023/11/ced62f20-8604-11ee-b029-33b1fcc5932e.jpg "2D Structure of [(1S,4S,5R,9S,10S,13R)-14-(hydroperoxymethyl)-5,9-dimethyl-5-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl]methanol")
| 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 | 95.85% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.57% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.95% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.11% | 91.11% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 92.50% | 82.69% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.78% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.63% | 95.89% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 89.45% | 95.50% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 85.77% | 96.38% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.77% | 94.75% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.17% | 92.94% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.03% | 98.95% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 82.76% | 95.38% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.36% | 100.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.97% | 100.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.43% | 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.
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| There are no matching plants. |
| PubChem | 101594589 |
| LOTUS | LTS0098267 |
| wikiData | Q105270824 |