Furobinordentatin
| Internal ID | eeb65070-eb96-4a01-bfd6-b8e8fd80297e |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives > Pyranocoumarins > Linear pyranocoumarins |
| IUPAC Name | (1S,2S,15R,17S)-13,19-dihydroxy-3,3,29,29-tetramethyl-6,26-bis(2-methylbut-3-en-2-yl)-4,8,16,24,28-pentaoxaheptacyclo[15.12.0.02,15.05,14.07,12.018,27.020,25]nonacosa-5(14),6,10,12,18(27),19,21,25-octaene-9,23-dione |
| SMILES (Canonical) | CC1(C2C3C(C4=C(C(=C5C(=C4O)C=CC(=O)O5)C(C)(C)C=C)OC3(C)C)OC2C6=C(O1)C(=C7C(=C6O)C=CC(=O)O7)C(C)(C)C=C)C |
| SMILES (Isomeric) | CC1([C@H]2[C@H]3[C@@H](C4=C(C(=C5C(=C4O)C=CC(=O)O5)C(C)(C)C=C)OC3(C)C)O[C@H]2C6=C(O1)C(=C7C(=C6O)C=CC(=O)O7)C(C)(C)C=C)C |
| InChI | InChI=1S/C38H40O9/c1-11-35(3,4)25-29-17(13-15-19(39)43-29)27(41)21-31-23(37(7,8)46-33(21)25)24-32(45-31)22-28(42)18-14-16-20(40)44-30(18)26(36(5,6)12-2)34(22)47-38(24,9)10/h11-16,23-24,31-32,41-42H,1-2H2,3-10H3/t23-,24-,31-,32+/m0/s1 |
| InChI Key | DANYDCOFKKXSPK-NHQBZNGBSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C38H40O9 |
| Molecular Weight | 640.70 g/mol |
| Exact Mass | 640.26723285 g/mol |
| Topological Polar Surface Area (TPSA) | 121.00 Ų |
| XlogP | 7.30 |
| 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 | 99.09% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.29% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.13% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.77% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.54% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.39% | 99.23% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.47% | 94.73% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 84.45% | 83.82% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.27% | 94.45% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 81.13% | 96.00% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 80.89% | 90.93% |
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.
| Solanum tuberosum |
| PubChem | 10009319 |
| LOTUS | LTS0142238 |
| wikiData | Q104938071 |