6,16-Dihydroxy-1,2,17-trimethyl-14-oxo-8,18-bis(prop-1-en-2-yl)-13-oxapentacyclo[10.8.1.02,10.05,9.017,21]henicosane-5-carboxylic acid
| Internal ID | 293a0674-794e-48c8-8882-f6c7f69ab618 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 6,16-dihydroxy-1,2,17-trimethyl-14-oxo-8,18-bis(prop-1-en-2-yl)-13-oxapentacyclo[10.8.1.02,10.05,9.017,21]henicosane-5-carboxylic acid |
| SMILES (Canonical) | CC(=C)C1CCC2(C3C1(C(CC(=O)OC3CC4C2(CCC5(C4C(CC5O)C(=C)C)C(=O)O)C)O)C)C |
| SMILES (Isomeric) | CC(=C)C1CCC2(C3C1(C(CC(=O)OC3CC4C2(CCC5(C4C(CC5O)C(=C)C)C(=O)O)C)O)C)C |
| InChI | InChI=1S/C30H44O6/c1-15(2)17-12-22(32)30(26(34)35)11-10-27(5)19(24(17)30)13-20-25-28(27,6)9-8-18(16(3)4)29(25,7)21(31)14-23(33)36-20/h17-22,24-25,31-32H,1,3,8-14H2,2,4-7H3,(H,34,35) |
| InChI Key | ZLXPGZOSKBAEMR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H44O6 |
| Molecular Weight | 500.70 g/mol |
| Exact Mass | 500.31378912 g/mol |
| Topological Polar Surface Area (TPSA) | 104.00 Ų |
| XlogP | 6.10 |
| There are no found synonyms. |
![2D Structure of 6,16-Dihydroxy-1,2,17-trimethyl-14-oxo-8,18-bis(prop-1-en-2-yl)-13-oxapentacyclo[10.8.1.02,10.05,9.017,21]henicosane-5-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/e27d4c90-8768-11ee-8c21-332924780910.jpg "2D Structure of 6,16-Dihydroxy-1,2,17-trimethyl-14-oxo-8,18-bis(prop-1-en-2-yl)-13-oxapentacyclo[10.8.1.02,10.05,9.017,21]henicosane-5-carboxylic acid")
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.39% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.30% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.16% | 91.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.67% | 99.23% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.83% | 97.25% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.55% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.52% | 91.19% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 86.43% | 97.79% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.49% | 95.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.34% | 90.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.75% | 86.33% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 83.95% | 93.04% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.30% | 97.09% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 83.23% | 96.61% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.19% | 85.14% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.71% | 92.94% |
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.
| Eleutherococcus divaricatus |
| PubChem | 77912675 |
| LOTUS | LTS0162400 |
| wikiData | Q105379267 |