[7-Hydroxy-4-(3-hydroxy-3-methylpent-4-enyl)-3,8,8-trimethyl-6-(2-methylbut-2-enoyloxy)-1,4,5,6,7,8a-hexahydronaphthalen-4a-yl]methyl 2-methylbutanoate
| Internal ID | fb3101a4-9810-4759-86a9-f95c23c00100 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | [7-hydroxy-4-(3-hydroxy-3-methylpent-4-enyl)-3,8,8-trimethyl-6-(2-methylbut-2-enoyloxy)-1,4,5,6,7,8a-hexahydronaphthalen-4a-yl]methyl 2-methylbutanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H48O6/c1-10-19(4)26(32)35-18-30-17-23(36-27(33)20(5)11-2)25(31)28(7,8)24(30)14-13-21(6)22(30)15-16-29(9,34)12-3/h11-13,19,22-25,31,34H,3,10,14-18H2,1-2,4-9H3 |
| InChI Key | NFZGKLNVBOQOGH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H48O6 |
| Molecular Weight | 504.70 g/mol |
| Exact Mass | 504.34508925 g/mol |
| Topological Polar Surface Area (TPSA) | 93.10 Ų |
| XlogP | 5.50 |
| There are no found synonyms. |
![2D Structure of [7-Hydroxy-4-(3-hydroxy-3-methylpent-4-enyl)-3,8,8-trimethyl-6-(2-methylbut-2-enoyloxy)-1,4,5,6,7,8a-hexahydronaphthalen-4a-yl]methyl 2-methylbutanoate](https://plantaedb.com/storage/docs/compounds/2023/11/5ed88990-862d-11ee-9a84-9b61783cc1c2.jpg "2D Structure of [7-Hydroxy-4-(3-hydroxy-3-methylpent-4-enyl)-3,8,8-trimethyl-6-(2-methylbut-2-enoyloxy)-1,4,5,6,7,8a-hexahydronaphthalen-4a-yl]methyl 2-methylbutanoate")
| 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 | 97.55% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.15% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.11% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.90% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.97% | 90.17% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 92.87% | 97.79% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 90.39% | 96.95% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 89.90% | 97.21% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.44% | 93.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.87% | 94.75% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 88.62% | 90.93% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.45% | 96.47% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.29% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.46% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.59% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.58% | 95.89% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.88% | 91.07% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 83.20% | 91.24% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.23% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.79% | 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.
| Waitzia acuminata |
| PubChem | 162988270 |
| LOTUS | LTS0051171 |
| wikiData | Q105178771 |