(10S)-10-[(1R,10S,19R)-5,14,15-trihydroxy-8,18,20-trioxapentacyclo[8.7.3.01,10.02,7.012,17]icosa-2(7),3,5,12,14,16-hexaen-19-yl]-8-oxatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,12,14-hexaene-5,10,14,15-tetrol
| Internal ID | 448e0ab0-4a25-47cb-adb8-895544e610a0 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans |
| IUPAC Name | (10S)-10-[(1R,10S,19R)-5,14,15-trihydroxy-8,18,20-trioxapentacyclo[8.7.3.01,10.02,7.012,17]icosa-2(7),3,5,12,14,16-hexaen-19-yl]-8-oxatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,12,14-hexaene-5,10,14,15-tetrol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C32H26O11/c33-17-1-3-19-20-9-25(37)23(35)5-15(20)11-30(39,13-40-27(19)7-17)29-42-31-12-16-6-24(36)26(38)10-22(16)32(31,43-29)21-4-2-18(34)8-28(21)41-14-31/h1-10,29,33-39H,11-14H2/t29-,30-,31-,32-/m0/s1 |
| InChI Key | PTEHIEUVVCAMMF-YDPTYEFTSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C32H26O11 |
| Molecular Weight | 586.50 g/mol |
| Exact Mass | 586.14751164 g/mol |
| Topological Polar Surface Area (TPSA) | 179.00 Ų |
| XlogP | 2.90 |
| There are no found synonyms. |
![2D Structure of (10S)-10-[(1R,10S,19R)-5,14,15-trihydroxy-8,18,20-trioxapentacyclo[8.7.3.01,10.02,7.012,17]icosa-2(7),3,5,12,14,16-hexaen-19-yl]-8-oxatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,12,14-hexaene-5,10,14,15-tetrol](https://plantaedb.com/storage/docs/compounds/2023/11/0c05f4b0-85aa-11ee-ab87-2daab5a94e76.jpg "2D Structure of (10S)-10-[(1R,10S,19R)-5,14,15-trihydroxy-8,18,20-trioxapentacyclo[8.7.3.01,10.02,7.012,17]icosa-2(7),3,5,12,14,16-hexaen-19-yl]-8-oxatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,12,14-hexaene-5,10,14,15-tetrol")
| 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 | 99.40% | 91.11% |
| CHEMBL236 | P41143 | Delta opioid receptor | 91.82% | 99.35% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 89.61% | 91.49% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.05% | 92.94% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.70% | 100.00% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 88.24% | 98.35% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.16% | 97.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 87.92% | 93.40% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.85% | 99.15% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 87.50% | 85.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.13% | 89.00% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 85.09% | 94.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.41% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.10% | 86.33% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 83.22% | 94.08% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.67% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.46% | 95.89% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 80.87% | 91.79% |
| CHEMBL3194 | P02766 | Transthyretin | 80.56% | 90.71% |
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 | 154497287 |
| LOTUS | LTS0218661 |
| wikiData | Q105214588 |