[4,5-Dihydroxy-6-[[1-hydroxy-3,8-dimethyl-5-(6-methylhept-5-en-2-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-2-methyloxan-3-yl] acetate
| Internal ID | bf5f79e9-d70a-4548-abdd-6706151dd6df |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Biflorane and serrulatane diterpenoids |
| IUPAC Name | [4,5-dihydroxy-6-[[1-hydroxy-3,8-dimethyl-5-(6-methylhept-5-en-2-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-2-methyloxan-3-yl] acetate |
| SMILES (Canonical) | CC1CCC(C2=C1C(=C(C(=C2)C)OC3C(C(C(C(O3)C)OC(=O)C)O)O)O)C(C)CCC=C(C)C |
| SMILES (Isomeric) | CC1CCC(C2=C1C(=C(C(=C2)C)OC3C(C(C(C(O3)C)OC(=O)C)O)O)O)C(C)CCC=C(C)C |
| InChI | InChI=1S/C28H42O7/c1-14(2)9-8-10-15(3)20-12-11-16(4)22-21(20)13-17(5)26(23(22)30)35-28-25(32)24(31)27(18(6)33-28)34-19(7)29/h9,13,15-16,18,20,24-25,27-28,30-32H,8,10-12H2,1-7H3 |
| InChI Key | KPEDAIBRQPLURR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H42O7 |
| Molecular Weight | 490.60 g/mol |
| Exact Mass | 490.29305367 g/mol |
| Topological Polar Surface Area (TPSA) | 105.00 Ų |
| XlogP | 5.60 |
| There are no found synonyms. |
![2D Structure of [4,5-Dihydroxy-6-[[1-hydroxy-3,8-dimethyl-5-(6-methylhept-5-en-2-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-2-methyloxan-3-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/9859f8e0-8600-11ee-a563-c9a8cf275393.jpg "2D Structure of [4,5-Dihydroxy-6-[[1-hydroxy-3,8-dimethyl-5-(6-methylhept-5-en-2-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-2-methyloxan-3-yl] acetate")
| 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 | 98.78% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.58% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.78% | 89.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 91.96% | 93.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.19% | 86.33% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 90.58% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.87% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.67% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.73% | 95.89% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.00% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.53% | 94.45% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 87.44% | 91.24% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.93% | 90.71% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 85.86% | 93.18% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.69% | 92.94% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.80% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.03% | 100.00% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 82.68% | 90.24% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.13% | 96.47% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 80.87% | 93.10% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.58% | 91.19% |
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 | 21029332 |
| LOTUS | LTS0127111 |
| wikiData | Q105144139 |