(+/-)-Hypophyllanthin
| Internal ID | a30fe1b0-a1d3-4360-810b-c97630c2421d |
| Taxonomy | Lignans, neolignans and related compounds > Aryltetralin lignans |
| IUPAC Name | (7S,8S,9R)-9-(3,4-dimethoxyphenyl)-4-methoxy-7,8-bis(methoxymethyl)-6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxole |
| SMILES (Canonical) | COCC1CC2=CC(=C3C(=C2C(C1COC)C4=CC(=C(C=C4)OC)OC)OCO3)OC |
| SMILES (Isomeric) | COC[C@H]1CC2=CC(=C3C(=C2[C@H]([C@@H]1COC)C4=CC(=C(C=C4)OC)OC)OCO3)OC |
| InChI | InChI=1S/C24H30O7/c1-25-11-16-8-15-10-20(29-5)23-24(31-13-30-23)22(15)21(17(16)12-26-2)14-6-7-18(27-3)19(9-14)28-4/h6-7,9-10,16-17,21H,8,11-13H2,1-5H3/t16-,17-,21+/m1/s1 |
| InChI Key | LBJCUHLNHSKZBW-LZJOCLMNSA-N |
| Popularity | 22 references in papers |
| Molecular Formula | C24H30O7 |
| Molecular Weight | 430.50 g/mol |
| Exact Mass | 430.19915329 g/mol |
| Topological Polar Surface Area (TPSA) | 64.60 Ų |
| XlogP | 3.60 |
| 78215-54-0 |
| (+/-)-Hypophyllanthin |
| (7S,8S,9R)-9-(3,4-dimethoxyphenyl)-4-methoxy-7,8-bis(methoxymethyl)-6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxole |
| DTXSID70857866 |
| HY-N4108 |
| Hypophyllanthin, analytical standard |
| AKOS037514694 |
| MS-27652 |
| CS-0032116 |
| (7S,8S,9R)-9-(3,4-Dimethoxyphenyl)-4-methoxy-7,8-bis(methoxymethyl)-6,7,8,9-tetrahydro-2H-naphtho[1,2-d][1,3]dioxole |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.15% | 96.09% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 93.40% | 89.62% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 92.65% | 92.94% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.29% | 97.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.51% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.47% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.06% | 86.33% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.75% | 93.99% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.51% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.61% | 92.62% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 85.01% | 92.38% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 84.52% | 88.48% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.35% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.25% | 98.95% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 82.08% | 82.67% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.78% | 90.00% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 80.91% | 94.03% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.57% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.49% | 99.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.49% | 96.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.20% | 98.75% |
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.
| Phyllanthus amarus |
| Phyllanthus niruri |
| Phyllanthus urinaria |
| Phyllanthus virgatus |
| PubChem | 71749431 |
| LOTUS | LTS0166230 |
| wikiData | Q82853333 |