Trichocarane A
| Internal ID | 886933be-50ff-4869-932d-8e46b3229ef5 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Tertiary alcohols |
| IUPAC Name | (1aS,2aR,4S,5R,5aR,7aR)-2a,7a-dimethyl-5-propan-2-yl-2,3,4,5a,6,7-hexahydro-1aH-azuleno[5,6-b]oxirene-4,5-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H26O3/c1-9(2)15(17)10-5-6-14(4)12(18-14)8-13(10,3)7-11(15)16/h9-12,16-17H,5-8H2,1-4H3/t10-,11+,12+,13-,14-,15-/m1/s1 |
| InChI Key | KZIYMGXPOZNBKF-YXJLRHLOSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C15H26O3 |
| Molecular Weight | 254.36 g/mol |
| Exact Mass | 254.18819469 g/mol |
| Topological Polar Surface Area (TPSA) | 53.00 Ų |
| XlogP | 2.00 |
| (1aS,2aR,4S,5R,5aR,7aR)-2a,7a-dimethyl-5-propan-2-yl-2,3,4,5a,6,7-hexahydro-1aH-azuleno[5,6-b]oxirene-4,5-diol |
| (1aS,2aR,4S,5R,5aR,7aR)-2a,7a-dimethyl-5-propan-2-yl-2,3,4,5a,6,7-hexahydro-1aH-azuleno(5,6-b)oxirene-4,5-diol |
| RefChem:191076 |
| 297745-86-9 |
| CHEMBL443704 |
| SCHEMBL18270616 |
| CHEBI:207347 |
| 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 |
|---|---|---|---|---|
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 92.37% | 96.61% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.84% | 90.17% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 91.48% | 96.77% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.44% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.10% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.16% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.01% | 91.11% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 87.66% | 98.10% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.98% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.65% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.64% | 100.00% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 84.39% | 85.30% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 84.30% | 95.38% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 83.84% | 95.58% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 81.55% | 97.79% |
| CHEMBL2842 | P42345 | Serine/threonine-protein kinase mTOR | 80.25% | 92.78% |
| CHEMBL2007625 | O75874 | Isocitrate dehydrogenase [NADP] cytoplasmic | 80.23% | 99.00% |
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 | 21606643 |
| LOTUS | LTS0184860 |
| wikiData | Q77484322 |