Lobophytumin D
| Internal ID | 2d3c598b-8eb2-4408-b172-b09ae224713b |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (3S,4aR,8aR)-5,8a-dimethyl-3-(6-methylhepta-1,5-dien-2-yl)-2,3,4,4a,7,8-hexahydro-1H-naphthalene |
| SMILES (Canonical) | CC1=CCCC2(C1CC(CC2)C(=C)CCC=C(C)C)C |
| SMILES (Isomeric) | CC1=CCC[C@]2([C@H]1C[C@H](CC2)C(=C)CCC=C(C)C)C |
| InChI | InChI=1S/C20H32/c1-15(2)8-6-9-16(3)18-11-13-20(5)12-7-10-17(4)19(20)14-18/h8,10,18-19H,3,6-7,9,11-14H2,1-2,4-5H3/t18-,19-,20+/m0/s1 |
| InChI Key | MVDYCHZUKVXVBG-SLFFLAALSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H32 |
| Molecular Weight | 272.50 g/mol |
| Exact Mass | 272.250401021 g/mol |
| Topological Polar Surface Area (TPSA) | 0.00 Ų |
| XlogP | 7.10 |
| CHEBI:69562 |
| (2S,4aR,8aR)-4a,8-dimethyl-2-(6-methylhepta-1,5-dien-2-yl)-1,2,3,4,4a,5,6,8a-octahydronaphthalene |
| RefChem:153903 |
| (3S,4aR,8aR)-5,8a-dimethyl-3-(6-methylhepta-1,5-dien-2-yl)-2,3,4,4a,7,8-hexahydro-1H-naphthalene |
| CHEMBL1835377 |
| Q27137905 |
| 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 | 97.38% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.39% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.10% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.05% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.99% | 90.17% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.48% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.15% | 94.45% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.76% | 92.94% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 84.03% | 97.21% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.01% | 95.89% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 81.61% | 85.30% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 81.39% | 97.50% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.52% | 98.95% |
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.
| There are no matching plants. |
| PubChem | 56598868 |
| LOTUS | LTS0094842 |
| wikiData | Q27137905 |