Azorellanol
| Internal ID | 07bab771-283a-4999-894d-fa9ada3ab5e8 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Valparane and mulinane diterpenoids |
| IUPAC Name | [(1R,2R,5R,6R,8S,9S,12R,13R)-12-hydroxy-6,9,12-trimethyl-5-propan-2-yl-8-tetracyclo[7.5.0.01,13.02,6]tetradecanyl] acetate |
| SMILES (Canonical) | CC(C)C1CCC2C1(CC(C3(C24CC4C(CC3)(C)O)C)OC(=O)C)C |
| SMILES (Isomeric) | CC(C)[C@H]1CC[C@@H]2[C@@]1(C[C@@H]([C@@]3([C@]24C[C@H]4[C@](CC3)(C)O)C)OC(=O)C)C |
| InChI | InChI=1S/C22H36O3/c1-13(2)15-7-8-16-19(15,4)12-18(25-14(3)23)20(5)9-10-21(6,24)17-11-22(16,17)20/h13,15-18,24H,7-12H2,1-6H3/t15-,16-,17+,18+,19-,20-,21-,22-/m1/s1 |
| InChI Key | KLONPCIQOJGNBV-NBWOUMIXSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C22H36O3 |
| Molecular Weight | 348.50 g/mol |
| Exact Mass | 348.26644501 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 4.90 |
| CHEMBL2205117 |
| (hydroxy-isopropyl-trimethyl-[?]yl) acetate |
| 1H-Cyclopenta[a]cyclopropa[i]naphthalene-5,8-diol, dodecahydro-5,7a,9a-trimethyl-1-(1-methylethyl)-, 8-acetate, (1R,3aR,4aR,5R,7aS,8S,9aR)- |
| 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 | 97.36% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.52% | 97.25% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 93.66% | 96.38% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 92.02% | 82.69% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 91.28% | 91.19% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.46% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.04% | 95.89% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.71% | 91.11% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.21% | 100.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.70% | 97.14% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 82.96% | 97.47% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.53% | 100.00% |
| CHEMBL268 | P43235 | Cathepsin K | 82.29% | 96.85% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.04% | 98.95% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.50% | 94.33% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.49% | 89.50% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 81.43% | 89.05% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.36% | 96.47% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 81.09% | 95.36% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 81.08% | 92.88% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 80.94% | 95.69% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.74% | 97.09% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.09% | 95.89% |
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.
| Azorella compacta |
| PubChem | 10383143 |
| LOTUS | LTS0222585 |
| wikiData | Q105142726 |