2-[5-[5-[5-(2-Hydroxy-6-methylhept-5-en-2-yl)-2-methyloxolan-2-yl]oxolan-2-yl]-5-methyloxolan-2-yl]-6-methylhept-5-en-2-ol
| Internal ID | 17012bed-b224-419b-8a7f-3d630fb8a75e |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 2-[5-[5-[5-(2-hydroxy-6-methylhept-5-en-2-yl)-2-methyloxolan-2-yl]oxolan-2-yl]-5-methyloxolan-2-yl]-6-methylhept-5-en-2-ol |
| SMILES (Canonical) | CC(=CCCC(C)(C1CCC(O1)(C)C2CCC(O2)C3(CCC(O3)C(C)(CCC=C(C)C)O)C)O)C |
| SMILES (Isomeric) | CC(=CCCC(C)(C1CCC(O1)(C)C2CCC(O2)C3(CCC(O3)C(C)(CCC=C(C)C)O)C)O)C |
| InChI | InChI=1S/C30H52O5/c1-21(2)11-9-17-27(5,31)23-15-19-29(7,34-23)25-13-14-26(33-25)30(8)20-16-24(35-30)28(6,32)18-10-12-22(3)4/h11-12,23-26,31-32H,9-10,13-20H2,1-8H3 |
| InChI Key | LICDBSWLYVFNPL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H52O5 |
| Molecular Weight | 492.70 g/mol |
| Exact Mass | 492.38147475 g/mol |
| Topological Polar Surface Area (TPSA) | 68.20 Ų |
| XlogP | 5.80 |
| There are no found synonyms. |
![2D Structure of 2-[5-[5-[5-(2-Hydroxy-6-methylhept-5-en-2-yl)-2-methyloxolan-2-yl]oxolan-2-yl]-5-methyloxolan-2-yl]-6-methylhept-5-en-2-ol](https://plantaedb.com/storage/docs/compounds/2023/11/b517ae50-86f7-11ee-ac8b-8505accf07bb.jpg "2D Structure of 2-[5-[5-[5-(2-Hydroxy-6-methylhept-5-en-2-yl)-2-methyloxolan-2-yl]oxolan-2-yl]-5-methyloxolan-2-yl]-6-methylhept-5-en-2-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.52% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.00% | 97.25% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 90.13% | 95.69% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.58% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.49% | 97.09% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 87.63% | 95.58% |
| CHEMBL233 | P35372 | Mu opioid receptor | 86.70% | 97.93% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 86.57% | 98.10% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 86.08% | 96.61% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.85% | 94.73% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.44% | 95.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.15% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.08% | 92.62% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 83.61% | 99.43% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.24% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.85% | 86.33% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 81.92% | 100.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.90% | 97.14% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.32% | 100.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.01% | 96.95% |
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.
| Eurycoma longifolia |
| PubChem | 14059935 |
| LOTUS | LTS0061152 |
| wikiData | Q105152113 |