CID 16179206
| Internal ID | 66075b26-a4d6-4573-b2b5-9e6d7f1ed5a6 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Biflavonoids and polyflavonoids |
| IUPAC Name | |
| SMILES (Canonical) | CC(=O)OC1C(C2=C(C=C(C=C2OC(=O)C)OC(=O)C)OC1C3=CC(=C(C(=C3)OC(=O)C)OC(=O)C)OC(=O)C)C4=C(C=C(C5=C4OC(C(C5)OC(=O)C6=CC(=C(C(=C6)OC(=O)C)OC(=O)C)OC(=O)C)C7=CC(=C(C(=C7)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
| SMILES (Isomeric) | CC(=O)O[C@@H]1[C@H](C2=C(C=C(C=C2OC(=O)C)OC(=O)C)O[C@@H]1C3=CC(=C(C(=C3)OC(=O)C)OC(=O)C)OC(=O)C)C4=C(C=C(C5=C4O[C@@H]([C@@H](C5)OC(=O)C6=CC(=C(C(=C6)OC(=O)C)OC(=O)C)OC(=O)C)C7=CC(=C(C(=C7)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
| InChI | InChI=1S/C65H58O32/c1-25(66)81-42-21-45(83-27(3)68)55-46(22-42)95-59(40-17-50(87-31(7)72)62(92-36(12)77)51(18-40)88-32(8)73)64(94-38(14)79)57(55)56-47(84-28(4)69)24-44(82-26(2)67)43-23-54(96-65(80)41-19-52(89-33(9)74)63(93-37(13)78)53(20-41)90-34(10)75)58(97-60(43)56)39-15-48(85-29(5)70)61(91-35(11)76)49(16-39)86-30(6)71/h15-22,24,54,57-59,64H,23H2,1-14H3/t54-,57-,58-,59-,64-/m1/s1 |
| InChI Key | XIROHVIWMDGOFO-SWXIRCDVSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C65H58O32 |
| Molecular Weight | 1351.10 g/mol |
| Exact Mass | 1350.2911197 g/mol |
| Topological Polar Surface Area (TPSA) | 413.00 Ų |
| XlogP | 4.80 |
| There are no found synonyms. |
| 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 | 97.40% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.93% | 96.09% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 93.64% | 92.98% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.52% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.85% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 91.57% | 83.82% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.03% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.77% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.64% | 90.00% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 84.37% | 95.71% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.93% | 92.62% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 83.07% | 94.80% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 83.04% | 83.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.83% | 98.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.32% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.70% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.14% | 97.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.07% | 94.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.97% | 94.73% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.76% | 95.89% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.38% | 95.89% |
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.
| Stryphnodendron adstringens |
| PubChem | 16179206 |
| LOTUS | LTS0191248 |
| wikiData | Q105328705 |