1,5-dihydroxy-3-methoxy-2-[(1S)-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbut-2-enyl]-10-methylacridin-9-one
| Internal ID | 78ed03f4-198e-498e-a6b1-cf9f3b26df01 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Benzoquinolines > Acridines > Acridones |
| IUPAC Name | 1,5-dihydroxy-3-methoxy-2-[(1S)-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbut-2-enyl]-10-methylacridin-9-one |
| SMILES (Canonical) | CC(=CC(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)C3=C(C=C4C(=C3O)C(=O)C5=C(N4C)C(=CC=C5)O)OC)C |
| SMILES (Isomeric) | CC(=C[C@@H](C1=C(C=C2C(=C1)C=CC(=O)O2)OC)C3=C(C=C4C(=C3O)C(=O)C5=C(N4C)C(=CC=C5)O)OC)C |
| InChI | InChI=1S/C30H27NO7/c1-15(2)11-19(18-12-16-9-10-25(33)38-22(16)14-23(18)36-4)26-24(37-5)13-20-27(30(26)35)29(34)17-7-6-8-21(32)28(17)31(20)3/h6-14,19,32,35H,1-5H3/t19-/m0/s1 |
| InChI Key | LUTVFOXEXBZKQE-IBGZPJMESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H27NO7 |
| Molecular Weight | 513.50 g/mol |
| Exact Mass | 513.17875220 g/mol |
| Topological Polar Surface Area (TPSA) | 106.00 Ų |
| XlogP | 6.30 |
| There are no found synonyms. |
![2D Structure of 1,5-dihydroxy-3-methoxy-2-[(1S)-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbut-2-enyl]-10-methylacridin-9-one](https://plantaedb.com/storage/docs/compounds/2023/11/a0ba0250-85ef-11ee-82e7-e35022839b7f.jpg "2D Structure of 1,5-dihydroxy-3-methoxy-2-[(1S)-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbut-2-enyl]-10-methylacridin-9-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.58% | 98.95% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 98.23% | 93.99% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.62% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.54% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.63% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.02% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 93.52% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.95% | 86.33% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 91.86% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.75% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.25% | 85.14% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.64% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.15% | 98.75% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.07% | 94.75% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 88.02% | 94.45% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 87.33% | 80.78% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.22% | 94.45% |
| CHEMBL1899 | P46098 | Serotonin 3a (5-HT3a) receptor | 84.84% | 100.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.55% | 89.62% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.72% | 90.71% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 83.35% | 90.20% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 83.26% | 92.08% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 83.11% | 94.03% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 80.92% | 100.00% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 80.74% | 93.10% |
| CHEMBL5678 | P34947 | G protein-coupled receptor kinase 5 | 80.58% | 88.00% |
| CHEMBL235 | P37231 | Peroxisome proliferator-activated receptor gamma | 80.25% | 95.39% |
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.
| Citrus × aurantium |
| PubChem | 162988664 |
| LOTUS | LTS0186402 |
| wikiData | Q105157643 |