2-[[1-Hydroxy-3,8-dimethyl-5-(6-methylhept-5-en-2-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-6-methyloxane-3,4,5-triol
| Internal ID | 960b96e6-5d1a-4680-b7af-d6f08b39b2b0 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Biflorane and serrulatane diterpenoids |
| IUPAC Name | 2-[[1-hydroxy-3,8-dimethyl-5-(6-methylhept-5-en-2-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-6-methyloxane-3,4,5-triol |
| SMILES (Canonical) | CC1CCC(C2=C1C(=C(C(=C2)C)OC3C(C(C(C(O3)C)O)O)O)O)C(C)CCC=C(C)C |
| SMILES (Isomeric) | CC1CCC(C2=C1C(=C(C(=C2)C)OC3C(C(C(C(O3)C)O)O)O)O)C(C)CCC=C(C)C |
| InChI | InChI=1S/C26H40O6/c1-13(2)8-7-9-14(3)18-11-10-15(4)20-19(18)12-16(5)25(22(20)28)32-26-24(30)23(29)21(27)17(6)31-26/h8,12,14-15,17-18,21,23-24,26-30H,7,9-11H2,1-6H3 |
| InChI Key | DMODUYADUPFPEH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H40O6 |
| Molecular Weight | 448.60 g/mol |
| Exact Mass | 448.28248899 g/mol |
| Topological Polar Surface Area (TPSA) | 99.40 Ų |
| XlogP | 5.10 |
| There are no found synonyms. |
![2D Structure of 2-[[1-Hydroxy-3,8-dimethyl-5-(6-methylhept-5-en-2-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-6-methyloxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/431f2a00-8755-11ee-92a0-0f712061e0cb.jpg "2D Structure of 2-[[1-Hydroxy-3,8-dimethyl-5-(6-methylhept-5-en-2-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-6-methyloxane-3,4,5-triol")
| 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 | 99.16% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.75% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.18% | 89.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 91.17% | 93.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.16% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.98% | 86.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.48% | 90.71% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.93% | 92.94% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 89.63% | 89.62% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.59% | 94.73% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 87.95% | 99.18% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.88% | 95.89% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 86.63% | 93.18% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.42% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.18% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.69% | 91.49% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 83.33% | 90.24% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.45% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.09% | 97.09% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 81.06% | 93.10% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.04% | 94.45% |
| CHEMBL344 | Q99705 | Melanin-concentrating hormone receptor 1 | 80.26% | 92.50% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 80.14% | 91.24% |
| CHEMBL264 | Q9Y5N1 | Histamine H3 receptor | 80.06% | 91.43% |
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 | 73838092 |
| LOTUS | LTS0094902 |
| wikiData | Q104985240 |