(1S,2S,3R)-1-hydroxy-5-methoxy-2-propan-2-yl-3-(2,4,5-trimethoxyphenyl)-2,3-dihydro-1H-indene-4,7-dione
| Internal ID | ed97972b-2f2a-4662-925a-795747343f50 |
| Taxonomy | Benzenoids > Phenol ethers > Anisoles |
| IUPAC Name | (1S,2S,3R)-1-hydroxy-5-methoxy-2-propan-2-yl-3-(2,4,5-trimethoxyphenyl)-2,3-dihydro-1H-indene-4,7-dione |
| SMILES (Canonical) | CC(C)C1C(C2=C(C1O)C(=O)C=C(C2=O)OC)C3=CC(=C(C=C3OC)OC)OC |
| SMILES (Isomeric) | CC(C)[C@H]1[C@@H](C2=C([C@H]1O)C(=O)C=C(C2=O)OC)C3=CC(=C(C=C3OC)OC)OC |
| InChI | InChI=1S/C22H26O7/c1-10(2)17-18(11-7-14(27-4)15(28-5)9-13(11)26-3)20-19(22(17)25)12(23)8-16(29-6)21(20)24/h7-10,17-18,22,25H,1-6H3/t17-,18-,22-/m0/s1 |
| InChI Key | HAFDPLHMYJWZRI-SPEDKVCISA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H26O7 |
| Molecular Weight | 402.40 g/mol |
| Exact Mass | 402.16785316 g/mol |
| Topological Polar Surface Area (TPSA) | 91.30 Ų |
| XlogP | 2.40 |
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.61% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.56% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.97% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.40% | 95.56% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 91.03% | 85.31% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.38% | 98.75% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.35% | 90.71% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.10% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.27% | 94.45% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 87.12% | 96.86% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.93% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.47% | 86.33% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.22% | 95.89% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.30% | 89.62% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.80% | 92.94% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.66% | 96.90% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.58% | 94.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.48% | 97.14% |
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.
| Sphallerocarpus gracilis |
| PubChem | 101033328 |
| LOTUS | LTS0187912 |
| wikiData | Q105024833 |