7beta,19-Dihydroxykaur-15-ene-17-carbaldehyde
| Internal ID | d6bceddb-0a1d-42c9-9a66-4c0f823f315b |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
| IUPAC Name | 2-[(1R,2S,4S,5S,9R,10S,13R)-2-hydroxy-5-(hydroxymethyl)-5,9-dimethyl-14-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl]acetaldehyde |
| SMILES (Canonical) | CC1(CCCC2(C1CC(C34C2CCC(C3)C(=C4)CC=O)O)C)CO |
| SMILES (Isomeric) | C[C@@]1(CCC[C@@]2([C@@H]1C[C@@H]([C@]34[C@H]2CC[C@H](C3)C(=C4)CC=O)O)C)CO |
| InChI | InChI=1S/C21H32O3/c1-19(13-23)7-3-8-20(2)16-5-4-14-11-21(16,12-15(14)6-9-22)18(24)10-17(19)20/h9,12,14,16-18,23-24H,3-8,10-11,13H2,1-2H3/t14-,16+,17-,18+,19-,20+,21-/m1/s1 |
| InChI Key | QIILVVQSUDKWRM-USNPJKINSA-N |
| Popularity | 7 references in papers |
| Molecular Formula | C21H32O3 |
| Molecular Weight | 332.50 g/mol |
| Exact Mass | 332.23514488 g/mol |
| Topological Polar Surface Area (TPSA) | 57.50 Ų |
| XlogP | 3.00 |
| 7beta,19-Dihydroxykaur-15-ene-17-carbaldehyde |
| 2-[(1R,2S,4S,5S,9R,10S,13R)-2-hydroxy-5-(hydroxymethyl)-5,9-dimethyl-14-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl]acetaldehyde |
| 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 | 93.44% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.35% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.08% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.50% | 100.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 88.92% | 95.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.36% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.62% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.39% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.22% | 98.95% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 86.15% | 95.93% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.42% | 90.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.89% | 94.45% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.54% | 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.
To see more specific details click the taxa you are interested in.
| Sideritis canariensis |
| Sideritis candicans |
| Sideritis cystosiphon |
| Sideritis ferrensis |
| Sideritis infernalis |
| Sideritis soluta |
| Sideritis sventenii |
| PubChem | 14890430 |
| LOTUS | LTS0070497 |
| wikiData | Q104396288 |