8-[2-[2-(5,7-Dimethoxy-2-oxochromen-8-yl)-1-methylcyclohex-3-en-1-yl]ethenyl]-5,7-dimethoxychromen-2-one
Internal ID | 6557a6ee-90de-4234-bac9-e98da29981f9 |
Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives |
IUPAC Name | 8-[2-[2-(5,7-dimethoxy-2-oxochromen-8-yl)-1-methylcyclohex-3-en-1-yl]ethenyl]-5,7-dimethoxychromen-2-one |
SMILES (Canonical) | CC1(CCC=CC1C2=C(C=C(C3=C2OC(=O)C=C3)OC)OC)C=CC4=C(C=C(C5=C4OC(=O)C=C5)OC)OC |
SMILES (Isomeric) | CC1(CCC=CC1C2=C(C=C(C3=C2OC(=O)C=C3)OC)OC)C=CC4=C(C=C(C5=C4OC(=O)C=C5)OC)OC |
InChI | InChI=1S/C31H30O8/c1-31(15-13-20-23(35-3)16-22(34-2)18-9-11-26(32)38-29(18)20)14-7-6-8-21(31)28-25(37-5)17-24(36-4)19-10-12-27(33)39-30(19)28/h6,8-13,15-17,21H,7,14H2,1-5H3 |
InChI Key | WDGPQNGHPASOCI-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C31H30O8 |
Molecular Weight | 530.60 g/mol |
Exact Mass | 530.19406791 g/mol |
Topological Polar Surface Area (TPSA) | 89.50 Ų |
XlogP | 6.20 |
There are no found synonyms. |
![2D Structure of 8-[2-[2-(5,7-Dimethoxy-2-oxochromen-8-yl)-1-methylcyclohex-3-en-1-yl]ethenyl]-5,7-dimethoxychromen-2-one 2D Structure of 8-[2-[2-(5,7-Dimethoxy-2-oxochromen-8-yl)-1-methylcyclohex-3-en-1-yl]ethenyl]-5,7-dimethoxychromen-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/546379b0-85d8-11ee-80c0-ad05ffe4f35d.jpg)
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 | 97.67% | 91.11% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.56% | 95.56% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.99% | 94.45% |
CHEMBL2581 | P07339 | Cathepsin D | 90.22% | 98.95% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.52% | 96.00% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.26% | 89.00% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.12% | 92.94% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 88.96% | 97.14% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.60% | 94.75% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.87% | 94.00% |
CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 87.44% | 89.62% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.51% | 86.33% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.93% | 92.62% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.69% | 95.89% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.45% | 99.23% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.01% | 100.00% |
CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 83.23% | 97.28% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.76% | 97.09% |
CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 82.32% | 92.38% |
CHEMBL1907599 | P05556 | Integrin alpha-4/beta-1 | 81.48% | 92.86% |
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.
Murraya paniculata |
PubChem | 163004705 |
LOTUS | LTS0080349 |
wikiData | Q105302348 |