3,4a,8,8-tetramethyl-4-(3-methylpenta-2,4-dienyl)-2,4,5,6,7,8a-hexahydro-1H-naphthalene-1,2,3-triol
| Internal ID | 25d23677-715c-4dd8-ab15-ddfb49294d0b |
| 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-1,2,3-triol |
| SMILES (Canonical) | CC(=CCC1C2(CCCC(C2C(C(C1(C)O)O)O)(C)C)C)C=C |
| SMILES (Isomeric) | CC(=CCC1C2(CCCC(C2C(C(C1(C)O)O)O)(C)C)C)C=C |
| InChI | InChI=1S/C20H34O3/c1-7-13(2)9-10-14-19(5)12-8-11-18(3,4)16(19)15(21)17(22)20(14,6)23/h7,9,14-17,21-23H,1,8,10-12H2,2-6H3 |
| InChI Key | JEZOMVOAWYLQAJ-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 | 4.50 |
| 70387-38-1 |
| 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 | 96.96% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.40% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.60% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.13% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.15% | 98.95% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.07% | 94.75% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.43% | 90.17% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 81.46% | 96.61% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.40% | 95.89% |
| CHEMBL4370 | P16662 | UDP-glucuronosyltransferase 2B7 | 80.06% | 100.00% |
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.
| Austroeupatorium inulaefolium |
| Blumea balsamifera |
| Blumea fistulosa |
| Croton costatus |
| Croton glabellus |
| Koanophyllon conglobatum |
| Nidorella auriculata |
| Stevia aristata |
| Stevia rebaudiana |
| Stevia sarensis |
| PubChem | 72975030 |
| LOTUS | LTS0272012 |
| wikiData | Q105126526 |