Emericellin B
| Internal ID | 7cb21440-52e4-4c9d-b5d4-fd880d46b468 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Tertiary alcohols |
| IUPAC Name | (1S,3R,4R,7S,8S,10S)-4-(hydroxymethyl)-1,7,8-trimethyltricyclo[5.4.0.03,8]undecane-4,10-diol |
| SMILES (Canonical) | CC12CCC(C3C1(CC(CC2(C3)C)O)C)(CO)O |
| SMILES (Isomeric) | C[C@@]12CC[C@@]([C@H]3[C@@]1(C[C@H](C[C@@]2(C3)C)O)C)(CO)O |
| InChI | InChI=1S/C15H26O3/c1-12-6-10(17)7-13(2)11(8-12)15(18,9-16)5-4-14(12,13)3/h10-11,16-18H,4-9H2,1-3H3/t10-,11+,12+,13-,14-,15-/m0/s1 |
| InChI Key | NVBYQUPKHVWYMI-RHTUOURWSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C15H26O3 |
| Molecular Weight | 254.36 g/mol |
| Exact Mass | 254.18819469 g/mol |
| Topological Polar Surface Area (TPSA) | 60.70 Ų |
| XlogP | 1.40 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL226 | P30542 | Adenosine A1 receptor | 95.51% | 95.93% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.78% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.91% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.73% | 97.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.81% | 90.17% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 89.77% | 96.61% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 87.92% | 97.79% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.38% | 91.11% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.77% | 96.95% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 84.42% | 95.38% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 84.35% | 98.03% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.81% | 100.00% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 83.15% | 97.64% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.37% | 82.69% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.24% | 95.89% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.79% | 95.50% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 80.22% | 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.
| There are no matching plants. |
| PubChem | 146684426 |
| LOTUS | LTS0091324 |
| wikiData | Q105186150 |