6,11-Dihydroxy-9-methoxy-22-oxahexacyclo[10.10.2.02,7.08,24.015,23.016,21]tetracosa-2(7),3,5,8,10,12(24),16,18,20-nonaen-13-one
| Internal ID | 7ddb86f3-fa83-465e-ae53-241df6a21bce |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavans |
| IUPAC Name | 6,11-dihydroxy-9-methoxy-22-oxahexacyclo[10.10.2.02,7.08,24.015,23.016,21]tetracosa-2(7),3,5,8,10,12(24),16,18,20-nonaen-13-one |
| SMILES (Canonical) | COC1=C2C3=C(C(=O)CC4C3C(C5=C2C(=CC=C5)O)OC6=CC=CC=C46)C(=C1)O |
| SMILES (Isomeric) | COC1=C2C3=C(C(=O)CC4C3C(C5=C2C(=CC=C5)O)OC6=CC=CC=C46)C(=C1)O |
| InChI | InChI=1S/C24H18O5/c1-28-18-10-16(27)21-15(26)9-13-11-5-2-3-8-17(11)29-24-12-6-4-7-14(25)19(12)22(18)23(21)20(13)24/h2-8,10,13,20,24-25,27H,9H2,1H3 |
| InChI Key | ZVFNSNHXUYAPTP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H18O5 |
| Molecular Weight | 386.40 g/mol |
| Exact Mass | 386.11542367 g/mol |
| Topological Polar Surface Area (TPSA) | 76.00 Ų |
| XlogP | 4.00 |
| There are no found synonyms. |
![2D Structure of 6,11-Dihydroxy-9-methoxy-22-oxahexacyclo[10.10.2.02,7.08,24.015,23.016,21]tetracosa-2(7),3,5,8,10,12(24),16,18,20-nonaen-13-one](https://plantaedb.com/storage/docs/compounds/2023/11/45cf1e00-85d1-11ee-a9c4-136b0919e046.jpg "2D Structure of 6,11-Dihydroxy-9-methoxy-22-oxahexacyclo[10.10.2.02,7.08,24.015,23.016,21]tetracosa-2(7),3,5,8,10,12(24),16,18,20-nonaen-13-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.73% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.53% | 95.56% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 96.02% | 83.82% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.06% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.62% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.42% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.67% | 86.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 91.72% | 98.75% |
| CHEMBL240 | Q12809 | HERG | 91.54% | 89.76% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.90% | 99.23% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.32% | 97.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.08% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.00% | 97.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.05% | 92.62% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 84.23% | 93.99% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.18% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.52% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.17% | 94.45% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 81.16% | 91.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.93% | 99.17% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.34% | 93.40% |
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.
| Polytrichastrum ohioense |
| PubChem | 73081572 |
| LOTUS | LTS0221647 |
| wikiData | Q105384262 |