5,7-Dimethoxy-8-[2,3,5-trihydroxy-6-(3-hydroxy-2,2,3-trimethylbutoxy)-7-(7-methoxy-2-oxochromen-8-yl)-3,5-dimethylheptyl]chromen-2-one
| Internal ID | fd913071-c988-4afc-8c35-dfb17789d063 |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives |
| IUPAC Name | 5,7-dimethoxy-8-[2,3,5-trihydroxy-6-(3-hydroxy-2,2,3-trimethylbutoxy)-7-(7-methoxy-2-oxochromen-8-yl)-3,5-dimethylheptyl]chromen-2-one |
| SMILES (Canonical) | CC(C)(COC(CC1=C(C=CC2=C1OC(=O)C=C2)OC)C(C)(CC(C)(C(CC3=C(C=C(C4=C3OC(=O)C=C4)OC)OC)O)O)O)C(C)(C)O |
| SMILES (Isomeric) | CC(C)(COC(CC1=C(C=CC2=C1OC(=O)C=C2)OC)C(C)(CC(C)(C(CC3=C(C=C(C4=C3OC(=O)C=C4)OC)OC)O)O)O)C(C)(C)O |
| InChI | InChI=1S/C37H48O12/c1-34(2,35(3,4)41)20-47-29(17-24-25(44-7)13-10-21-11-14-30(39)48-32(21)24)37(6,43)19-36(5,42)28(38)16-23-27(46-9)18-26(45-8)22-12-15-31(40)49-33(22)23/h10-15,18,28-29,38,41-43H,16-17,19-20H2,1-9H3 |
| InChI Key | YZLBEVMSWOPZDJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C37H48O12 |
| Molecular Weight | 684.80 g/mol |
| Exact Mass | 684.31457696 g/mol |
| Topological Polar Surface Area (TPSA) | 170.00 Ų |
| XlogP | 3.90 |
| There are no found synonyms. |
![2D Structure of 5,7-Dimethoxy-8-[2,3,5-trihydroxy-6-(3-hydroxy-2,2,3-trimethylbutoxy)-7-(7-methoxy-2-oxochromen-8-yl)-3,5-dimethylheptyl]chromen-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/5d4cb8e0-85ae-11ee-8053-15c5e5a8c885.jpg "2D Structure of 5,7-Dimethoxy-8-[2,3,5-trihydroxy-6-(3-hydroxy-2,2,3-trimethylbutoxy)-7-(7-methoxy-2-oxochromen-8-yl)-3,5-dimethylheptyl]chromen-2-one")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.35% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.28% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.78% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.26% | 94.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 91.76% | 98.75% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 90.73% | 89.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.88% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.52% | 94.73% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.19% | 96.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.89% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.22% | 89.00% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 85.07% | 90.20% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.58% | 92.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.05% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.60% | 96.09% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 82.98% | 97.21% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.84% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.30% | 99.23% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 80.13% | 93.18% |
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.
| Triphasia trifolia |
| PubChem | 163042481 |
| LOTUS | LTS0078737 |
| wikiData | Q105369304 |