(1S,4R)-7,8-Dihydroxycalamenene
| Internal ID | 6a5780ef-d926-40a2-a58f-ea6f583669ff |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | (5R,8S)-3,8-dimethyl-5-propan-2-yl-5,6,7,8-tetrahydronaphthalene-1,2-diol |
| SMILES (Canonical) | CC1CCC(C2=C1C(=C(C(=C2)C)O)O)C(C)C |
| SMILES (Isomeric) | C[C@H]1CC[C@@H](C2=C1C(=C(C(=C2)C)O)O)C(C)C |
| InChI | InChI=1S/C15H22O2/c1-8(2)11-6-5-9(3)13-12(11)7-10(4)14(16)15(13)17/h7-9,11,16-17H,5-6H2,1-4H3/t9-,11+/m0/s1 |
| InChI Key | CGMRLDYEJWKTEX-GXSJLCMTSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C15H22O2 |
| Molecular Weight | 234.33 g/mol |
| Exact Mass | 234.161979940 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 4.40 |
| (1S,4R)-7,8-DIHYDROXYCALAMENENE |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 94.05% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.03% | 91.11% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 91.58% | 90.71% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 91.39% | 95.34% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.32% | 93.56% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 88.00% | 89.62% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.91% | 97.25% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 87.60% | 97.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.50% | 95.89% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.81% | 95.89% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 85.29% | 90.24% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 85.16% | 99.18% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.88% | 92.94% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.83% | 96.09% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.65% | 93.03% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 82.02% | 93.18% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 81.07% | 93.65% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.93% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.34% | 95.56% |
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.
| Alangium chinense |
| PubChem | 14864211 |
| NPASS | NPC471179 |
| ChEMBL | CHEMBL2386327 |
| LOTUS | LTS0065018 |
| wikiData | Q104957903 |