(19R)-14-methoxy-6,8,12,21-tetraoxahexacyclo[11.10.1.02,10.05,9.017,24.019,23]tetracosa-1(23),2(10),3,5(9),13,15,17(24)-heptaen-22-one
| Internal ID | 4bbd05a4-98cd-4368-9184-bb06f4d01e3a |
| Taxonomy | Lignans, neolignans and related compounds > Lignan lactones |
| IUPAC Name | (19R)-14-methoxy-6,8,12,21-tetraoxahexacyclo[11.10.1.02,10.05,9.017,24.019,23]tetracosa-1(23),2(10),3,5(9),13,15,17(24)-heptaen-22-one |
| SMILES (Canonical) | COC1=C2C3=C(CC4COC(=O)C4=C3C5=C(CO2)C6=C(C=C5)OCO6)C=C1 |
| SMILES (Isomeric) | COC1=C2C3=C(C[C@H]4COC(=O)C4=C3C5=C(CO2)C6=C(C=C5)OCO6)C=C1 |
| InChI | InChI=1S/C21H16O6/c1-23-14-4-2-10-6-11-7-25-21(22)17(11)18-12-3-5-15-19(27-9-26-15)13(12)8-24-20(14)16(10)18/h2-5,11H,6-9H2,1H3/t11-/m0/s1 |
| InChI Key | CCASLFQJXHLOQU-NSHDSACASA-N |
| Popularity | 6 references in papers |
| Molecular Formula | C21H16O6 |
| Molecular Weight | 364.30 g/mol |
| Exact Mass | 364.09468823 g/mol |
| Topological Polar Surface Area (TPSA) | 63.20 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of (19R)-14-methoxy-6,8,12,21-tetraoxahexacyclo[11.10.1.02,10.05,9.017,24.019,23]tetracosa-1(23),2(10),3,5(9),13,15,17(24)-heptaen-22-one](https://plantaedb.com/storage/docs/compounds/2023/11/4dee48a0-869e-11ee-9205-753783e1bf91.jpg "2D Structure of (19R)-14-methoxy-6,8,12,21-tetraoxahexacyclo[11.10.1.02,10.05,9.017,24.019,23]tetracosa-1(23),2(10),3,5(9),13,15,17(24)-heptaen-22-one")
| 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 | 98.64% | 91.49% |
| CHEMBL240 | Q12809 | HERG | 96.88% | 89.76% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.59% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.91% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.79% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.97% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.43% | 86.33% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 91.08% | 82.67% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.34% | 98.75% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.92% | 92.62% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.80% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.04% | 95.89% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 87.81% | 96.86% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.63% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.76% | 100.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 86.10% | 93.40% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.78% | 97.14% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 84.89% | 96.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.67% | 94.00% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 82.94% | 80.96% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.56% | 96.77% |
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.
| Linum perenne |
| PubChem | 71682694 |
| LOTUS | LTS0041822 |
| wikiData | Q104953032 |