Mulinol
| Internal ID | f3883182-7a8f-4a5f-9f2c-5d02d3f498b9 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Valparane and mulinane diterpenoids |
| IUPAC Name | (3R,3aS,5aS,8R,10aS,10bS)-3a-(hydroxymethyl)-5a,8-dimethyl-3-propan-2-yl-2,3,4,5,6,7,10a,10b-octahydro-1H-cyclohepta[e]inden-8-ol |
| SMILES (Canonical) | CC(C)C1CCC2C1(CCC3(C2C=CC(CC3)(C)O)C)CO |
| SMILES (Isomeric) | CC(C)[C@H]1CC[C@@H]2[C@@]1(CC[C@@]3([C@H]2C=C[C@](CC3)(C)O)C)CO |
| InChI | InChI=1S/C20H34O2/c1-14(2)15-5-6-17-16-7-8-19(4,22)11-9-18(16,3)10-12-20(15,17)13-21/h7-8,14-17,21-22H,5-6,9-13H2,1-4H3/t15-,16+,17+,18-,19+,20+/m1/s1 |
| InChI Key | LFQXIQANLOWZLO-JIFZMYKYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H34O2 |
| Molecular Weight | 306.50 g/mol |
| Exact Mass | 306.255880323 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 4.40 |
| CHEMBL2205119 |
| 13a-hydroxymulin-11-en-20-ol |
| (3R,3aS,5aS,8R,10aS,10bS)-3a-(hydroxymethyl)-3-isopropyl-5a,8-dimethyl-2,3,4,5,6,7,10a,10b-octahydro-1H-cyclohepta[e]inden-8-ol |
| 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 | 97.82% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.58% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.53% | 94.45% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 93.01% | 95.93% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.32% | 90.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.17% | 98.95% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 88.89% | 100.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.88% | 100.00% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 87.81% | 96.38% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.53% | 95.89% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.42% | 94.75% |
| CHEMBL5646 | Q6L5J4 | FML2_HUMAN | 84.87% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.69% | 91.11% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 83.42% | 92.88% |
| CHEMBL4072 | P07858 | Cathepsin B | 83.27% | 93.67% |
| CHEMBL238 | Q01959 | Dopamine transporter | 82.56% | 95.88% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 81.74% | 95.83% |
| CHEMBL4482 | O96013 | Serine/threonine-protein kinase PAK 4 | 81.65% | 95.42% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.31% | 95.89% |
| CHEMBL3869 | P50281 | Matrix metalloproteinase 14 | 81.17% | 93.10% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.15% | 97.09% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 80.75% | 96.61% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.65% | 95.50% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 80.51% | 97.50% |
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 | 71459530 |
| LOTUS | LTS0080038 |
| wikiData | Q105151141 |