[4-(3-hydroxy-3-methylpent-4-enyl)-4a,8,8-trimethyl-3-methylidene-2,4,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate
| Internal ID | db6c67fe-4d8d-4143-96ac-b500b40a1465 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | [4-(3-hydroxy-3-methylpent-4-enyl)-4a,8,8-trimethyl-3-methylidene-2,4,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H36O3/c1-8-21(6,24)13-10-17-15(2)14-18(25-16(3)23)19-20(4,5)11-9-12-22(17,19)7/h8,17-19,24H,1-2,9-14H2,3-7H3 |
| InChI Key | WCNCDVQMEQJFGH-UHFFFAOYSA-N |
| Popularity | 6 references in papers |
| Molecular Formula | C22H36O3 |
| Molecular Weight | 348.50 g/mol |
| Exact Mass | 348.26644501 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 5.10 |
| 1212190-51-6 |
| XL170626 |
| FT-0774984 |
| 8(17)14-Labdadiene-13-ol-6-acetyl - Larix decidua (European larch) |
![2D Structure of [4-(3-hydroxy-3-methylpent-4-enyl)-4a,8,8-trimethyl-3-methylidene-2,4,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/81714-labdadiene-13-ol-6-acetyl-larix-decidua-european-larch.jpg "2D Structure of [4-(3-hydroxy-3-methylpent-4-enyl)-4a,8,8-trimethyl-3-methylidene-2,4,5,6,7,8a-hexahydro-1H-naphthalen-1-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.52% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.37% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.62% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.44% | 98.95% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 88.91% | 90.93% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 87.40% | 91.07% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.07% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.48% | 94.45% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 84.37% | 99.43% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.24% | 95.89% |
| CHEMBL5028 | O14672 | ADAM10 | 82.99% | 97.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.08% | 97.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.45% | 91.19% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.18% | 94.73% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.80% | 96.95% |
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.
| Larix decidua |
| Larix gmelinii var. gmelinii |
| Larix gmelinii var. olgensis |
| PubChem | 5226790 |
| LOTUS | LTS0085970 |
| wikiData | Q104253506 |