(9,10,20-Trihydroxy-7,8,14,15,19,19-hexamethyl-21-oxahexacyclo[18.2.2.01,18.02,15.05,14.06,11]tetracos-4-en-11-yl)methyl acetate
| Internal ID | 1606fb67-0060-4c33-a251-5fcc4ad0b87c |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (9,10,20-trihydroxy-7,8,14,15,19,19-hexamethyl-21-oxahexacyclo[18.2.2.01,18.02,15.05,14.06,11]tetracos-4-en-11-yl)methyl acetate |
| SMILES (Canonical) | CC1C(C2C3=CCC4C(C3(CCC2(C(C1O)O)COC(=O)C)C)(CCC5C46CCC(C5(C)C)(OC6)O)C)C |
| SMILES (Isomeric) | CC1C(C2C3=CCC4C(C3(CCC2(C(C1O)O)COC(=O)C)C)(CCC5C46CCC(C5(C)C)(OC6)O)C)C |
| InChI | InChI=1S/C32H50O6/c1-18-19(2)25(34)26(35)31(16-37-20(3)33)13-12-28(6)21(24(18)31)8-9-23-29(28,7)11-10-22-27(4,5)32(36)15-14-30(22,23)17-38-32/h8,18-19,22-26,34-36H,9-17H2,1-7H3 |
| InChI Key | VNRFVSASQWQKLA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H50O6 |
| Molecular Weight | 530.70 g/mol |
| Exact Mass | 530.36073931 g/mol |
| Topological Polar Surface Area (TPSA) | 96.20 Ų |
| XlogP | 4.90 |
| There are no found synonyms. |
![2D Structure of (9,10,20-Trihydroxy-7,8,14,15,19,19-hexamethyl-21-oxahexacyclo[18.2.2.01,18.02,15.05,14.06,11]tetracos-4-en-11-yl)methyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/4b898180-84c3-11ee-a819-f94577c9c3de.jpg "2D Structure of (9,10,20-Trihydroxy-7,8,14,15,19,19-hexamethyl-21-oxahexacyclo[18.2.2.01,18.02,15.05,14.06,11]tetracos-4-en-11-yl)methyl acetate")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.93% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.51% | 91.11% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 92.28% | 96.77% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.68% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.37% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.13% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.65% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.25% | 100.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 85.74% | 82.69% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 84.52% | 94.33% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.42% | 95.89% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.19% | 100.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.87% | 90.17% |
| CHEMBL5028 | O14672 | ADAM10 | 81.67% | 97.50% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 81.16% | 89.34% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.00% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.00% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.63% | 86.33% |
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.
| Varronia multispicata |
| PubChem | 85392166 |
| LOTUS | LTS0226403 |
| wikiData | Q105289878 |