3,4a,8,8-tetramethyl-4-(3-methylpenta-2,4-dienyl)-2,4,5,6,7,8a-hexahydro-1H-naphthalene-2,3-diol
| Internal ID | 8a0fc733-06a4-4bb9-b4b3-06e7cc3716ed |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | 3,4a,8,8-tetramethyl-4-(3-methylpenta-2,4-dienyl)-2,4,5,6,7,8a-hexahydro-1H-naphthalene-2,3-diol |
| SMILES (Canonical) | CC(=CCC1C2(CCCC(C2CC(C1(C)O)O)(C)C)C)C=C |
| SMILES (Isomeric) | CC(=CCC1C2(CCCC(C2CC(C1(C)O)O)(C)C)C)C=C |
| InChI | InChI=1S/C20H34O2/c1-7-14(2)9-10-15-19(5)12-8-11-18(3,4)16(19)13-17(21)20(15,6)22/h7,9,15-17,21-22H,1,8,10-13H2,2-6H3 |
| InChI Key | MVPAUVKWONUNAG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H34O2 |
| Molecular Weight | 306.50 g/mol |
| Exact Mass | 306.255880323 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 5.40 |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.83% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.82% | 91.11% |
| CHEMBL233 | P35372 | Mu opioid receptor | 89.54% | 97.93% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.22% | 94.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.72% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.01% | 100.00% |
| CHEMBL4370 | P16662 | UDP-glucuronosyltransferase 2B7 | 85.51% | 100.00% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 84.75% | 95.58% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.05% | 95.50% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 82.99% | 96.61% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.42% | 82.69% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.63% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.88% | 90.17% |
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.
| Nicotiana tabacum |
| Nidorella auriculata |
| Stevia sarensis |
| PubChem | 76456406 |
| LOTUS | LTS0147429 |
| wikiData | Q105173210 |