(2R,4R,6S,7R,8S,9S,10R,14S,17R,19R)-2,8,10,14,18,18-hexamethyl-6-(2-methylprop-1-enyl)-5-oxapentacyclo[11.8.0.02,10.04,9.014,19]henicos-1(13)-ene-7,17-diol
| Internal ID | 76d5624b-ce37-44c5-b703-0bf715c3416e |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (2R,4R,6S,7R,8S,9S,10R,14S,17R,19R)-2,8,10,14,18,18-hexamethyl-6-(2-methylprop-1-enyl)-5-oxapentacyclo[11.8.0.02,10.04,9.014,19]henicos-1(13)-ene-7,17-diol |
| SMILES (Canonical) | CC1C2C(CC3(C2(CCC4=C3CCC5C4(CCC(C5(C)C)O)C)C)C)OC(C1O)C=C(C)C |
| SMILES (Isomeric) | C[C@H]1[C@@H]2[C@@H](C[C@@]3([C@@]2(CCC4=C3CC[C@@H]5[C@@]4(CC[C@H](C5(C)C)O)C)C)C)O[C@H]([C@@H]1O)C=C(C)C |
| InChI | InChI=1S/C30H48O3/c1-17(2)15-21-26(32)18(3)25-22(33-21)16-30(8)20-9-10-23-27(4,5)24(31)12-13-28(23,6)19(20)11-14-29(25,30)7/h15,18,21-26,31-32H,9-14,16H2,1-8H3/t18-,21-,22+,23-,24+,25+,26+,28+,29+,30-/m0/s1 |
| InChI Key | VJTZKDXTRQJBLI-SPHIVYAYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H48O3 |
| Molecular Weight | 456.70 g/mol |
| Exact Mass | 456.36034539 g/mol |
| Topological Polar Surface Area (TPSA) | 49.70 Ų |
| XlogP | 6.30 |
| There are no found synonyms. |
![2D Structure of (2R,4R,6S,7R,8S,9S,10R,14S,17R,19R)-2,8,10,14,18,18-hexamethyl-6-(2-methylprop-1-enyl)-5-oxapentacyclo[11.8.0.02,10.04,9.014,19]henicos-1(13)-ene-7,17-diol](https://plantaedb.com/storage/docs/compounds/2023/11/c2279960-8667-11ee-a8eb-bf4b4a62ea74.jpg "2D Structure of (2R,4R,6S,7R,8S,9S,10R,14S,17R,19R)-2,8,10,14,18,18-hexamethyl-6-(2-methylprop-1-enyl)-5-oxapentacyclo[11.8.0.02,10.04,9.014,19]henicos-1(13)-ene-7,17-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.52% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.11% | 96.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 93.47% | 92.94% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 92.13% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.07% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.52% | 89.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 86.41% | 95.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.27% | 97.09% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 84.27% | 95.38% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 83.16% | 95.78% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.02% | 86.33% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.27% | 94.75% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.27% | 85.14% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.76% | 90.17% |
| CHEMBL204 | P00734 | Thrombin | 80.49% | 96.01% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.28% | 95.93% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.24% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.16% | 97.14% |
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 | 162854974 |
| LOTUS | LTS0241069 |
| wikiData | Q105287508 |