[4,5-Dihydroxy-2-[[1-hydroxy-3,8-dimethyl-5-(6-methylhept-5-en-2-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-6-methyloxan-3-yl] acetate
| Internal ID | a48e5a8b-29fa-47ce-9460-ceab2583991c |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Biflorane and serrulatane diterpenoids |
| IUPAC Name | [4,5-dihydroxy-2-[[1-hydroxy-3,8-dimethyl-5-(6-methylhept-5-en-2-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-6-methyloxan-3-yl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H42O7/c1-14(2)9-8-10-15(3)20-12-11-16(4)22-21(20)13-17(5)26(24(22)31)35-28-27(34-19(7)29)25(32)23(30)18(6)33-28/h9,13,15-16,18,20,23,25,27-28,30-32H,8,10-12H2,1-7H3 |
| InChI Key | YLRKCBMBJTUMPC-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-2-[[1-hydroxy-3,8-dimethyl-5-(6-methylhept-5-en-2-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-6-methyloxan-3-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/de950620-85e1-11ee-9085-ebbb41644492.jpg "2D Structure of [4,5-Dihydroxy-2-[[1-hydroxy-3,8-dimethyl-5-(6-methylhept-5-en-2-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-6-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 | 98.91% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.32% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.23% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.61% | 94.45% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 91.96% | 93.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.42% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.36% | 96.09% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 89.64% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.59% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.52% | 94.73% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.93% | 95.89% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.34% | 90.71% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 86.74% | 91.24% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 86.69% | 93.18% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 84.27% | 93.10% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.80% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.63% | 100.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.05% | 92.94% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 82.01% | 90.24% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 81.36% | 99.18% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.21% | 89.62% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.00% | 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.
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| There are no matching plants. |
| PubChem | 162903840 |
| LOTUS | LTS0080098 |
| wikiData | Q105350266 |