[1,3-dihydroxy-3,4a,8,8-tetramethyl-4-(3-methylpenta-2,4-dienyl)-2,4,5,6,7,8a-hexahydro-1H-naphthalen-2-yl] acetate
| Internal ID | 9bd403e2-65eb-4306-af1e-e622706275c3 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | [1,3-dihydroxy-3,4a,8,8-tetramethyl-4-(3-methylpenta-2,4-dienyl)-2,4,5,6,7,8a-hexahydro-1H-naphthalen-2-yl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H36O4/c1-8-14(2)10-11-16-21(6)13-9-12-20(4,5)18(21)17(24)19(22(16,7)25)26-15(3)23/h8,10,16-19,24-25H,1,9,11-13H2,2-7H3 |
| InChI Key | IEAUFJOLHRNYMW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H36O4 |
| Molecular Weight | 364.50 g/mol |
| Exact Mass | 364.26135963 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 5.00 |
| There are no found synonyms. |
![2D Structure of [1,3-dihydroxy-3,4a,8,8-tetramethyl-4-(3-methylpenta-2,4-dienyl)-2,4,5,6,7,8a-hexahydro-1H-naphthalen-2-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/967e01f0-8611-11ee-b5a0-6b86ff66a772.jpg "2D Structure of [1,3-dihydroxy-3,4a,8,8-tetramethyl-4-(3-methylpenta-2,4-dienyl)-2,4,5,6,7,8a-hexahydro-1H-naphthalen-2-yl] 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.36% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.10% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.50% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.58% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.57% | 98.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.21% | 91.19% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 88.96% | 96.61% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 85.56% | 82.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.53% | 100.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 84.05% | 94.33% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.63% | 91.07% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.92% | 89.50% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.75% | 93.00% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 81.08% | 95.17% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.96% | 96.77% |
| CHEMBL233 | P35372 | Mu opioid receptor | 80.54% | 97.93% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.08% | 95.89% |
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.
| Koanophyllon conglobatum |
| Stevia rebaudiana |
| PubChem | 162954947 |
| LOTUS | LTS0099328 |
| wikiData | Q105111659 |