5-(3-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)-3-methylpent-2-ene-1,4-diol
| Internal ID | 40f4c676-6bd3-4f3e-a462-98a0143140cb |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | 5-(3-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)-3-methylpent-2-ene-1,4-diol |
| SMILES (Canonical) | CC(=CCO)C(CC1C(=C)C(CC2C1(CCCC2(C)C)C)O)O |
| SMILES (Isomeric) | CC(=CCO)C(CC1C(=C)C(CC2C1(CCCC2(C)C)C)O)O |
| InChI | InChI=1S/C20H34O3/c1-13(7-10-21)16(22)11-15-14(2)17(23)12-18-19(3,4)8-6-9-20(15,18)5/h7,15-18,21-23H,2,6,8-12H2,1,3-5H3 |
| InChI Key | BRBJHQRWXQRMLL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H34O3 |
| Molecular Weight | 322.50 g/mol |
| Exact Mass | 322.25079494 g/mol |
| Topological Polar Surface Area (TPSA) | 60.70 Ų |
| XlogP | 3.50 |
| There are no found synonyms. |
| 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 | 96.40% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.88% | 97.25% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 91.54% | 94.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.38% | 96.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.15% | 82.69% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 88.33% | 99.43% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.32% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.58% | 97.09% |
| CHEMBL238 | Q01959 | Dopamine transporter | 85.44% | 95.88% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.97% | 94.45% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.14% | 91.49% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.80% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.25% | 98.95% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 80.90% | 96.61% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 80.09% | 95.58% |
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.
| Physalis sordida |
| PubChem | 75239394 |
| LOTUS | LTS0202204 |
| wikiData | Q104944702 |