Palodesangren D
| Internal ID | 57077814-fbbc-49ff-89f3-fe9d6cca4163 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > 3-prenylated flavans |
| IUPAC Name | (4R,4aS,5S,12bR)-4-(4-hydroxy-2-methoxyphenyl)-5-(4-hydroxyphenyl)-2-methyl-4,4a,5,12b-tetrahydro-3H-isochromeno[4,3-g]chromen-9-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H26O6/c1-16-11-23(21-9-8-20(32)14-26(21)34-2)29-24(12-16)22-13-18-5-10-28(33)35-25(18)15-27(22)36-30(29)17-3-6-19(31)7-4-17/h3-10,12-15,23-24,29-32H,11H2,1-2H3/t23-,24-,29-,30+/m0/s1 |
| InChI Key | YECGSLHMDGBPTB-PPSLNNBKSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C30H26O6 |
| Molecular Weight | 482.50 g/mol |
| Exact Mass | 482.17293854 g/mol |
| Topological Polar Surface Area (TPSA) | 85.20 Ų |
| XlogP | 5.30 |
| (4R,4aS,5S,12bR)-4-(4-hydroxy-2-methoxyphenyl)-5-(4-hydroxyphenyl)-2-methyl-4,4a,5,12b-tetrahydro-3H-isochromeno(4,3-g)chromen-9-one |
| (4R,4aS,5S,12bR)-4-(4-hydroxy-2-methoxyphenyl)-5-(4-hydroxyphenyl)-2-methyl-4,4a,5,12b-tetrahydro-3H-isochromeno[4,3-g]chromen-9-one |
| RefChem:169768 |
| 197019-23-1 |
| CHEMBL512598 |
| 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 | 97.28% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.03% | 85.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 95.84% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.33% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.69% | 98.95% |
| CHEMBL3231 | Q13464 | Rho-associated protein kinase 1 | 93.15% | 95.55% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.94% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.88% | 94.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.26% | 97.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.80% | 98.75% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 89.34% | 94.03% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.15% | 86.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.69% | 90.71% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 86.13% | 94.45% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.45% | 96.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.87% | 89.00% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 82.07% | 85.00% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 82.06% | 97.33% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.81% | 95.89% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.06% | 94.73% |
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.
| Brosimum rubescens |
| PubChem | 10005461 |
| LOTUS | LTS0130500 |
| wikiData | Q105347156 |