(1R,4aR,7R,8S,8aR)-4,4,7,8a-tetramethyl-8-(3-methylidenepent-4-enyl)-2,3,4a,5,6,8-hexahydro-1H-naphthalene-1,7-diol
| Internal ID | a6d12812-1a97-49f8-9ec7-47bbe1592dd7 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (1R,4aR,7R,8S,8aR)-4,4,7,8a-tetramethyl-8-(3-methylidenepent-4-enyl)-2,3,4a,5,6,8-hexahydro-1H-naphthalene-1,7-diol |
| SMILES (Canonical) | CC1(CCC(C2(C1CCC(C2CCC(=C)C=C)(C)O)C)O)C |
| SMILES (Isomeric) | C[C@]1(CC[C@H]2[C@]([C@@H]1CCC(=C)C=C)([C@@H](CCC2(C)C)O)C)O |
| InChI | InChI=1S/C20H34O2/c1-7-14(2)8-9-16-19(5,22)13-10-15-18(3,4)12-11-17(21)20(15,16)6/h7,15-17,21-22H,1-2,8-13H2,3-6H3/t15-,16-,17-,19-,20-/m1/s1 |
| InChI Key | DIAYRJNXXIORFH-UNNPPQAFSA-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 | 5.00 |
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.45% | 83.82% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.48% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.56% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.69% | 96.09% |
| CHEMBL233 | P35372 | Mu opioid receptor | 88.93% | 97.93% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.50% | 100.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.82% | 91.49% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.98% | 95.50% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 84.95% | 97.64% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.84% | 94.45% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 84.11% | 96.61% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 84.10% | 91.03% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.55% | 95.89% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 83.07% | 95.92% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 82.88% | 91.24% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 82.47% | 90.24% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.44% | 92.94% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 82.27% | 89.05% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.48% | 90.17% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.36% | 94.75% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 81.28% | 95.93% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.24% | 91.07% |
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.
| Blepharostoma trichophyllum |
| Garcinia dulcis |
| Garcinia intermedia |
| Garcinia ovalifolia |
| Garcinia pyrifera |
| Garcinia subelliptica |
| Garcinia xanthochymus |
| Garcinia xipshuanbannaensis |
| PubChem | 21579291 |
| LOTUS | LTS0092085 |
| wikiData | Q27138669 |