16-Methoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(20),2,4(8),9,13(18),14,16-heptaene
| Internal ID | 8577979f-7c05-4ed0-bf09-7ad0ecacca4b |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids |
| IUPAC Name | 16-methoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(20),2,4(8),9,13(18),14,16-heptaene |
| SMILES (Canonical) | COC1=CC2=C(C=C1)C3C(=CO2)C4=CC5=C(C=C4O3)OCO5 |
| SMILES (Isomeric) | COC1=CC2=C(C=C1)C3C(=CO2)C4=CC5=C(C=C4O3)OCO5 |
| InChI | InChI=1S/C17H12O5/c1-18-9-2-3-10-13(4-9)19-7-12-11-5-15-16(21-8-20-15)6-14(11)22-17(10)12/h2-7,17H,8H2,1H3 |
| InChI Key | QAGRYTNRCYSLED-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H12O5 |
| Molecular Weight | 296.27 g/mol |
| Exact Mass | 296.06847348 g/mol |
| Topological Polar Surface Area (TPSA) | 46.20 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of 16-Methoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(20),2,4(8),9,13(18),14,16-heptaene](https://plantaedb.com/storage/docs/compounds/2023/11/cf3f4700-86d1-11ee-8023-3b2090044357.jpg "2D Structure of 16-Methoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(20),2,4(8),9,13(18),14,16-heptaene")
| 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 |
|---|---|---|---|---|
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 96.79% | 96.77% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 96.38% | 94.80% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.08% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.33% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.31% | 97.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 91.30% | 92.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.41% | 86.33% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 89.36% | 80.96% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.22% | 93.99% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.33% | 95.89% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 87.67% | 92.51% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 87.34% | 82.67% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.00% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.89% | 95.56% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 86.33% | 96.09% |
| CHEMBL3231 | Q13464 | Rho-associated protein kinase 1 | 85.23% | 95.55% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 84.13% | 100.00% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 83.37% | 85.30% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 81.71% | 93.31% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.61% | 99.17% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.21% | 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.
| Butea monosperma |
| PubChem | 57857193 |
| LOTUS | LTS0200047 |
| wikiData | Q105217387 |