(2R,3S,4R,5S,6S)-2-[[(1R,2R,4aS,8aS)-1-[(Z)-5-hydroxy-3-(hydroxymethyl)pent-3-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-yl]oxy]-6-methyloxane-3,4,5-triol
| Internal ID | 70ccaa47-7032-4357-806a-80946d639218 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides > Diterpene glycosides |
| IUPAC Name | (2R,3S,4R,5S,6S)-2-[[(1R,2R,4aS,8aS)-1-[(Z)-5-hydroxy-3-(hydroxymethyl)pent-3-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-yl]oxy]-6-methyloxane-3,4,5-triol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H46O7/c1-16-20(29)21(30)22(31)23(32-16)33-26(5)13-9-18-24(2,3)11-6-12-25(18,4)19(26)8-7-17(15-28)10-14-27/h10,16,18-23,27-31H,6-9,11-15H2,1-5H3/b17-10-/t16-,18-,19+,20+,21+,22-,23+,25-,26+/m0/s1 |
| InChI Key | WMDGYATZCCBJPY-KWOIVUEFSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C26H46O7 |
| Molecular Weight | 470.60 g/mol |
| Exact Mass | 470.32435380 g/mol |
| Topological Polar Surface Area (TPSA) | 120.00 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of (2R,3S,4R,5S,6S)-2-[[(1R,2R,4aS,8aS)-1-[(Z)-5-hydroxy-3-(hydroxymethyl)pent-3-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-yl]oxy]-6-methyloxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/8561fc20-863b-11ee-b5ca-e7c9634c4c32.jpg "2D Structure of (2R,3S,4R,5S,6S)-2-[[(1R,2R,4aS,8aS)-1-[(Z)-5-hydroxy-3-(hydroxymethyl)pent-3-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-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 | 97.61% | 91.11% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 93.93% | 95.92% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.65% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.37% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.13% | 97.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 90.75% | 94.75% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 89.97% | 96.38% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 88.23% | 91.49% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 87.89% | 95.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.39% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.42% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.94% | 86.33% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 84.37% | 95.93% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 84.30% | 95.83% |
| CHEMBL4370 | P16662 | UDP-glucuronosyltransferase 2B7 | 84.30% | 100.00% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 84.05% | 97.47% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 83.63% | 98.10% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 82.83% | 98.99% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 82.23% | 82.38% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.01% | 89.00% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 81.45% | 99.18% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 80.99% | 96.61% |
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 | 102056129 |
| LOTUS | LTS0110269 |
| wikiData | Q105308482 |