(-)-Mucronulatol
| Internal ID | 2ffd5605-a540-43bd-a352-f3e63033e466 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > O-methylated isoflavonoids > 4-O-methylated isoflavonoids > 3-hydroxy,4-methoxyisoflavonoids |
| IUPAC Name | (3S)-3-(3-hydroxy-2,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol |
| SMILES (Canonical) | COC1=C(C(=C(C=C1)C2CC3=C(C=C(C=C3)O)OC2)OC)O |
| SMILES (Isomeric) | COC1=C(C(=C(C=C1)[C@@H]2CC3=C(C=C(C=C3)O)OC2)OC)O |
| InChI | InChI=1S/C17H18O5/c1-20-14-6-5-13(17(21-2)16(14)19)11-7-10-3-4-12(18)8-15(10)22-9-11/h3-6,8,11,18-19H,7,9H2,1-2H3/t11-/m1/s1 |
| InChI Key | NUNFZNIXYWTZMW-LLVKDONJSA-N |
| Popularity | 6 references in papers |
| Molecular Formula | C17H18O5 |
| Molecular Weight | 302.32 g/mol |
| Exact Mass | 302.11542367 g/mol |
| Topological Polar Surface Area (TPSA) | 68.20 Ų |
| XlogP | 2.90 |
| (-)-Mucronulatol |
| 20878-97-1 |
| CHEBI:7014 |
| (3S)-3-(3-hydroxy-2,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol |
| (?)-Mucronulatol |
| (3S)-Mucronulatol |
| CHEMBL253474 |
| DTXSID70331959 |
| LMPK12080024 |
| Q27107401 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 96.61% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.99% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.52% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.65% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.26% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.61% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.66% | 95.56% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 85.39% | 89.62% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.36% | 95.89% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.56% | 98.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.43% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.28% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.87% | 94.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.79% | 93.56% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 81.90% | 95.78% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 81.80% | 89.05% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 81.68% | 82.67% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.52% | 100.00% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 80.54% | 94.03% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.42% | 92.94% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.40% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.10% | 85.14% |
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.
| PubChem | 442811 |
| NPASS | NPC162659 |
| ChEMBL | CHEMBL253474 |
| LOTUS | LTS0022356 |
| wikiData | Q27107401 |