[(2E,5S,6E,10E)-1-(2,5-dihydroxy-3-methylphenyl)-11-[(2S,4S)-4-hydroxy-5,5-dimethyloxolan-2-yl]-3,7-dimethyldodeca-2,6,10-trien-5-yl] acetate
| Internal ID | 9b5b6089-7f79-4acf-8435-c2c8e517f8a7 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides > Diterpene glycosides |
| IUPAC Name | [(2E,5S,6E,10E)-1-(2,5-dihydroxy-3-methylphenyl)-11-[(2S,4S)-4-hydroxy-5,5-dimethyloxolan-2-yl]-3,7-dimethyldodeca-2,6,10-trien-5-yl] acetate |
| SMILES (Canonical) | CC1=CC(=CC(=C1O)CC=C(C)CC(C=C(C)CCC=C(C)C2CC(C(O2)(C)C)O)OC(=O)C)O |
| SMILES (Isomeric) | CC1=CC(=CC(=C1O)C/C=C(\C)/C[C@@H](/C=C(\C)/CC/C=C(\C)/[C@@H]2C[C@@H](C(O2)(C)C)O)OC(=O)C)O |
| InChI | InChI=1S/C29H42O6/c1-18(9-8-10-20(3)26-17-27(32)29(6,7)35-26)13-25(34-22(5)30)14-19(2)11-12-23-16-24(31)15-21(4)28(23)33/h10-11,13,15-16,25-27,31-33H,8-9,12,14,17H2,1-7H3/b18-13+,19-11+,20-10+/t25-,26+,27+/m1/s1 |
| InChI Key | DLBCCJXBMZEVFR-RDCDDFQPSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H42O6 |
| Molecular Weight | 486.60 g/mol |
| Exact Mass | 486.29813906 g/mol |
| Topological Polar Surface Area (TPSA) | 96.20 Ų |
| XlogP | 6.10 |
| There are no found synonyms. |
![2D Structure of [(2E,5S,6E,10E)-1-(2,5-dihydroxy-3-methylphenyl)-11-[(2S,4S)-4-hydroxy-5,5-dimethyloxolan-2-yl]-3,7-dimethyldodeca-2,6,10-trien-5-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/dea89dc0-8562-11ee-acb2-616a6b1f61a9.jpg "2D Structure of [(2E,5S,6E,10E)-1-(2,5-dihydroxy-3-methylphenyl)-11-[(2S,4S)-4-hydroxy-5,5-dimethyloxolan-2-yl]-3,7-dimethyldodeca-2,6,10-trien-5-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 | 99.37% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.95% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.44% | 89.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 92.80% | 96.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.61% | 94.73% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 90.79% | 97.28% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.56% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.13% | 99.17% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 90.00% | 97.21% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.99% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.35% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.76% | 86.33% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.42% | 95.89% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.37% | 91.19% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.53% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.29% | 100.00% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 83.30% | 93.10% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 81.81% | 85.00% |
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 | 163188760 |
| LOTUS | LTS0073356 |
| wikiData | Q104984046 |