Methyl 20-hydroxy-8,8,14,15,19,19,23-heptamethyl-3-oxahexacyclo[13.8.0.02,4.05,14.06,11.018,23]tricosane-11-carboxylate
| Internal ID | b44bc8f3-9e6a-4d2d-88e6-048831c35416 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | methyl 20-hydroxy-8,8,14,15,19,19,23-heptamethyl-3-oxahexacyclo[13.8.0.02,4.05,14.06,11.018,23]tricosane-11-carboxylate |
| SMILES (Canonical) | CC1(CCC2(CCC3(C(C2C1)C4C(O4)C5C3(CCC6C5(CCC(C6(C)C)O)C)C)C)C(=O)OC)C |
| SMILES (Isomeric) | CC1(CCC2(CCC3(C(C2C1)C4C(O4)C5C3(CCC6C5(CCC(C6(C)C)O)C)C)C)C(=O)OC)C |
| InChI | InChI=1S/C31H50O4/c1-26(2)13-15-31(25(33)34-8)16-14-29(6)21(18(31)17-26)22-23(35-22)24-28(5)11-10-20(32)27(3,4)19(28)9-12-30(24,29)7/h18-24,32H,9-17H2,1-8H3 |
| InChI Key | SVCHRSBIXYNQEX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C31H50O4 |
| Molecular Weight | 486.70 g/mol |
| Exact Mass | 486.37091007 g/mol |
| Topological Polar Surface Area (TPSA) | 59.10 Ų |
| XlogP | 7.40 |
| There are no found synonyms. |
![2D Structure of Methyl 20-hydroxy-8,8,14,15,19,19,23-heptamethyl-3-oxahexacyclo[13.8.0.02,4.05,14.06,11.018,23]tricosane-11-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/580e4f30-87a3-11ee-b398-fbd091b4ee15.jpg "2D Structure of Methyl 20-hydroxy-8,8,14,15,19,19,23-heptamethyl-3-oxahexacyclo[13.8.0.02,4.05,14.06,11.018,23]tricosane-11-carboxylate")
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.83% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.00% | 96.09% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 95.78% | 95.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.76% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.08% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.94% | 97.09% |
| CHEMBL204 | P00734 | Thrombin | 91.57% | 96.01% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 91.21% | 96.38% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 90.93% | 89.05% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 89.63% | 96.77% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 86.21% | 92.98% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 85.92% | 94.33% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.38% | 92.94% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 85.09% | 95.58% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.05% | 91.07% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.35% | 95.89% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 84.30% | 96.61% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.95% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.85% | 97.25% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.57% | 91.19% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 82.46% | 85.31% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.63% | 90.17% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.35% | 92.50% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.67% | 97.14% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.30% | 95.50% |
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.
| Isodon japonicus |
| PubChem | 162929589 |
| LOTUS | LTS0091957 |
| wikiData | Q105261808 |