(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(9S,11S)-3,11,17-trihydroxy-9-tricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaenyl]oxy]oxane-3,4,5-triol
| Internal ID | a844d9a3-f48a-4e32-9f41-feb2cde123e3 |
| Taxonomy | Phenylpropanoids and polyketides > Diarylheptanoids > Cyclic diarylheptanoids > Meta,meta-bridged biphenyls |
| IUPAC Name | (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(9S,11S)-3,11,17-trihydroxy-9-tricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaenyl]oxy]oxane-3,4,5-triol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H32O9/c26-12-21-22(30)23(31)24(32)25(34-21)33-16-6-2-14-4-8-20(29)18(10-14)17-9-13(3-7-19(17)28)1-5-15(27)11-16/h3-4,7-10,15-16,21-32H,1-2,5-6,11-12H2/t15-,16-,21+,22+,23-,24+,25+/m0/s1 |
| InChI Key | AJLANUNDKPRSRO-CUCOOZDYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C25H32O9 |
| Molecular Weight | 476.50 g/mol |
| Exact Mass | 476.20463259 g/mol |
| Topological Polar Surface Area (TPSA) | 160.00 Ų |
| XlogP | 1.40 |
| There are no found synonyms. |
![2D Structure of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(9S,11S)-3,11,17-trihydroxy-9-tricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaenyl]oxy]oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/927f2d30-876b-11ee-ad98-9dbd029db7ca.jpg "2D Structure of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(9S,11S)-3,11,17-trihydroxy-9-tricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaenyl]oxy]oxane-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 | 99.50% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.58% | 97.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 93.33% | 95.93% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.83% | 96.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.46% | 92.94% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.75% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.03% | 89.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.93% | 99.15% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 84.69% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.71% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.65% | 99.17% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.81% | 100.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.15% | 90.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.62% | 94.00% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 80.55% | 96.21% |
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.
| Betula maximowicziana |
| PubChem | 10600669 |
| LOTUS | LTS0135664 |
| wikiData | Q104913240 |