2-methoxy-4-[(2R,3S)-8-methoxy-3-(2-methoxy-4-prop-2-enylphenoxy)-6-prop-2-enyl-3,4-dihydro-2H-chromen-2-yl]phenol
| Internal ID | 84519bf6-59b9-486a-9e74-96974432164e |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 8-O-methylated flavonoids |
| IUPAC Name | 2-methoxy-4-[(2R,3S)-8-methoxy-3-(2-methoxy-4-prop-2-enylphenoxy)-6-prop-2-enyl-3,4-dihydro-2H-chromen-2-yl]phenol |
| SMILES (Canonical) | COC1=CC(=CC2=C1OC(C(C2)OC3=C(C=C(C=C3)CC=C)OC)C4=CC(=C(C=C4)O)OC)CC=C |
| SMILES (Isomeric) | COC1=CC(=CC2=C1O[C@@H]([C@H](C2)OC3=C(C=C(C=C3)CC=C)OC)C4=CC(=C(C=C4)O)OC)CC=C |
| InChI | InChI=1S/C30H32O6/c1-6-8-19-10-13-24(26(15-19)33-4)35-28-18-22-14-20(9-7-2)16-27(34-5)30(22)36-29(28)21-11-12-23(31)25(17-21)32-3/h6-7,10-17,28-29,31H,1-2,8-9,18H2,3-5H3/t28-,29+/m0/s1 |
| InChI Key | NMNZUBDWSACNNK-URLMMPGGSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H32O6 |
| Molecular Weight | 488.60 g/mol |
| Exact Mass | 488.21988874 g/mol |
| Topological Polar Surface Area (TPSA) | 66.40 Ų |
| XlogP | 6.90 |
| There are no found synonyms. |
![2D Structure of 2-methoxy-4-[(2R,3S)-8-methoxy-3-(2-methoxy-4-prop-2-enylphenoxy)-6-prop-2-enyl-3,4-dihydro-2H-chromen-2-yl]phenol](https://plantaedb.com/storage/docs/compounds/2023/11/d7c02380-8566-11ee-b5f2-f7d531853026.jpg "2D Structure of 2-methoxy-4-[(2R,3S)-8-methoxy-3-(2-methoxy-4-prop-2-enylphenoxy)-6-prop-2-enyl-3,4-dihydro-2H-chromen-2-yl]phenol")
| 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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.56% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.22% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.13% | 91.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 93.59% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.48% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.44% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.99% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.79% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.60% | 99.17% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.50% | 92.94% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.87% | 94.45% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 87.55% | 88.48% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.05% | 97.09% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 85.79% | 97.05% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.44% | 92.62% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.15% | 96.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.84% | 90.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.71% | 95.89% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.07% | 98.75% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 82.07% | 97.33% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.07% | 95.50% |
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.
| Ocimum tenuiflorum |
| PubChem | 163037512 |
| LOTUS | LTS0198785 |
| wikiData | Q105181887 |