Haplopappin A
| Internal ID | 6dfad772-91ff-4b39-a49a-86948f8148a6 |
| Taxonomy | Phenylpropanoids and polyketides > Diarylheptanoids > Linear diarylheptanoids |
| IUPAC Name | 3,5-dihydroxy-8-[1-(4-hydroxyphenyl)ethyl]-7-methoxy-2-(4-methoxyphenyl)chromen-4-one |
| SMILES (Canonical) | CC(C1=CC=C(C=C1)O)C2=C(C=C(C3=C2OC(=C(C3=O)O)C4=CC=C(C=C4)OC)O)OC |
| SMILES (Isomeric) | CC(C1=CC=C(C=C1)O)C2=C(C=C(C3=C2OC(=C(C3=O)O)C4=CC=C(C=C4)OC)O)OC |
| InChI | InChI=1S/C25H22O7/c1-13(14-4-8-16(26)9-5-14)20-19(31-3)12-18(27)21-22(28)23(29)24(32-25(20)21)15-6-10-17(30-2)11-7-15/h4-13,26-27,29H,1-3H3 |
| InChI Key | FHPVJDIAUBFEDI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H22O7 |
| Molecular Weight | 434.40 g/mol |
| Exact Mass | 434.13655304 g/mol |
| Topological Polar Surface Area (TPSA) | 105.00 Ų |
| XlogP | 5.10 |
| LMPK12112594 |
| 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 | 99.50% | 91.11% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 97.75% | 99.15% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.45% | 94.00% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 94.60% | 98.35% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.15% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.98% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.41% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.83% | 89.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 91.77% | 90.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.50% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.41% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.37% | 85.14% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.50% | 90.71% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.27% | 95.50% |
| CHEMBL3194 | P02766 | Transthyretin | 85.71% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.63% | 94.73% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 85.40% | 93.31% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.01% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.93% | 95.89% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 84.18% | 100.00% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 82.06% | 86.92% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.95% | 99.23% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.35% | 98.75% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 81.33% | 83.10% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 80.80% | 93.65% |
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.
| Haplopappus foliosus |
| PubChem | 44259574 |
| LOTUS | LTS0214559 |
| wikiData | Q104995385 |