[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(7-methoxy-2-oxo-10-phenyl-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-8-yl)oxy]oxan-2-yl]methyl N-carbamoylcarbamate
| Internal ID | 7d632c25-49f5-4162-b2d7-6b724391da6b |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(7-methoxy-2-oxo-10-phenyl-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-8-yl)oxy]oxan-2-yl]methyl N-carbamoylcarbamate |
| SMILES (Canonical) | COC1=C(C2=C(C=CC3=C2C(=C1)COC3=O)C4=CC=CC=C4)OC5C(C(C(C(O5)COC(=O)NC(=O)N)O)O)O |
| SMILES (Isomeric) | COC1=C(C2=C(C=CC3=C2C(=C1)COC3=O)C4=CC=CC=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)NC(=O)N)O)O)O |
| InChI | InChI=1S/C27H26N2O11/c1-36-16-9-13-10-37-24(33)15-8-7-14(12-5-3-2-4-6-12)19(18(13)15)23(16)40-25-22(32)21(31)20(30)17(39-25)11-38-27(35)29-26(28)34/h2-9,17,20-22,25,30-32H,10-11H2,1H3,(H3,28,29,34,35)/t17-,20-,21+,22-,25+/m1/s1 |
| InChI Key | PQDBGWUPROQGSM-FHBCLOHASA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H26N2O11 |
| Molecular Weight | 554.50 g/mol |
| Exact Mass | 554.15365965 g/mol |
| Topological Polar Surface Area (TPSA) | 196.00 Ų |
| XlogP | 1.60 |
| There are no found synonyms. |
![2D Structure of [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(7-methoxy-2-oxo-10-phenyl-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-8-yl)oxy]oxan-2-yl]methyl N-carbamoylcarbamate](https://plantaedb.com/storage/docs/compounds/2023/11/e0191300-8396-11ee-9f5e-41b43e07849d.jpg "2D Structure of [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(7-methoxy-2-oxo-10-phenyl-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-8-yl)oxy]oxan-2-yl]methyl N-carbamoylcarbamate")
| 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 | 99.02% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.87% | 96.09% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 98.66% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.64% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.47% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.93% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.55% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.51% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.93% | 89.00% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 88.41% | 95.83% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.68% | 94.00% |
| CHEMBL2002 | P12268 | Inosine-5'-monophosphate dehydrogenase 2 | 87.63% | 98.21% |
| CHEMBL5028 | O14672 | ADAM10 | 85.27% | 97.50% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.89% | 98.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.00% | 95.89% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 82.41% | 96.67% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.41% | 96.47% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.13% | 96.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.12% | 97.09% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.84% | 95.50% |
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.
| Wachendorfia thyrsiflora |
| Xiphidium caeruleum |
| PubChem | 10886176 |
| LOTUS | LTS0035466 |
| wikiData | Q105213179 |