(1R,3S,4R,6S,7S,8R,12R)-4-(hydroxymethyl)-1,8-dimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradec-10-ene-6,8-diol
| Internal ID | d9c45eb9-b333-43ca-bb7b-b8f5769282d0 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Tertiary alcohols |
| IUPAC Name | (1R,3S,4R,6S,7S,8R,12R)-4-(hydroxymethyl)-1,8-dimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradec-10-ene-6,8-diol |
| SMILES (Canonical) | CC(C)C1CCC2(C1=CCC(C3C(CC(C3C2)CO)O)(C)O)C |
| SMILES (Isomeric) | CC(C)[C@H]1CC[C@]2(C1=CC[C@@]([C@@H]3[C@H](C[C@H]([C@@H]3C2)CO)O)(C)O)C |
| InChI | InChI=1S/C20H34O3/c1-12(2)14-5-7-19(3)10-15-13(11-21)9-17(22)18(15)20(4,23)8-6-16(14)19/h6,12-15,17-18,21-23H,5,7-11H2,1-4H3/t13-,14+,15-,17-,18-,19+,20+/m0/s1 |
| InChI Key | MSKFOQCDNOFJAT-KVEOIYGPSA-N |
| Popularity | 7 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 | 3.20 |
| There are no found synonyms. |
![2D Structure of (1R,3S,4R,6S,7S,8R,12R)-4-(hydroxymethyl)-1,8-dimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradec-10-ene-6,8-diol](https://plantaedb.com/storage/docs/compounds/2023/11/f3a764e0-8571-11ee-a2a5-539b0894e912.jpg "2D Structure of (1R,3S,4R,6S,7S,8R,12R)-4-(hydroxymethyl)-1,8-dimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradec-10-ene-6,8-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 | 98.62% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.97% | 97.25% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.79% | 90.17% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 94.21% | 95.93% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.11% | 91.11% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 93.99% | 97.79% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.58% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.43% | 100.00% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 89.05% | 96.61% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 87.63% | 98.03% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.96% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.54% | 94.45% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.70% | 95.50% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.65% | 82.69% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.51% | 95.56% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.20% | 100.00% |
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.
| Adina eurhyncha |
| Chimarrhis turbinata |
| Neonauclea sessilifolia |
| Ochrosia moorei |
| Strychnos mellodora |
| PubChem | 139588901 |
| LOTUS | LTS0272465 |
| wikiData | Q103816329 |