6,10-Dihydroxy-11-[(9-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl)oxy]-3,3,12-trimethylpyrano[2,3-c]acridin-7-one
| Internal ID | 927c89d1-db08-468e-a9af-6d8dd29f9dee |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Benzoquinolines > Acridines > Acridones |
| IUPAC Name | 6,10-dihydroxy-11-[(9-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl)oxy]-3,3,12-trimethylpyrano[2,3-c]acridin-7-one |
| SMILES (Canonical) | CC1(C=CC2=C(O1)C=C(C3=C2N(C4=C(C3=O)C=CC(=C4OC5C(C(OC6=C5C7=C(C=C6)C=CC(=O)O7)(C)C)O)O)C)O)C |
| SMILES (Isomeric) | CC1(C=CC2=C(O1)C=C(C3=C2N(C4=C(C3=O)C=CC(=C4OC5C(C(OC6=C5C7=C(C=C6)C=CC(=O)O7)(C)C)O)O)C)O)C |
| InChI | InChI=1S/C33H29NO9/c1-32(2)13-12-16-21(42-32)14-19(36)23-25(16)34(5)26-17(27(23)38)8-9-18(35)29(26)41-30-24-20(43-33(3,4)31(30)39)10-6-15-7-11-22(37)40-28(15)24/h6-14,30-31,35-36,39H,1-5H3 |
| InChI Key | NQAQWRPJTRYUKE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C33H29NO9 |
| Molecular Weight | 583.60 g/mol |
| Exact Mass | 583.18423150 g/mol |
| Topological Polar Surface Area (TPSA) | 135.00 Ų |
| XlogP | 5.10 |
| There are no found synonyms. |
![2D Structure of 6,10-Dihydroxy-11-[(9-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl)oxy]-3,3,12-trimethylpyrano[2,3-c]acridin-7-one](https://plantaedb.com/storage/docs/compounds/2023/11/9cb76a50-8678-11ee-aa5f-f3af3d9ce446.jpg "2D Structure of 6,10-Dihydroxy-11-[(9-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl)oxy]-3,3,12-trimethylpyrano[2,3-c]acridin-7-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 | 98.76% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.47% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.28% | 94.45% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.47% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.40% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.88% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.97% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.86% | 99.23% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.77% | 99.15% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.09% | 96.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 87.91% | 93.99% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 87.72% | 80.78% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 87.11% | 95.00% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 86.28% | 94.42% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 85.16% | 91.38% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.78% | 94.75% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 83.54% | 96.77% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.39% | 90.00% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 83.36% | 93.10% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 82.45% | 97.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.19% | 90.71% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.67% | 89.62% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.66% | 92.62% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.18% | 98.75% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 80.16% | 95.71% |
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 | 163068821 |
| LOTUS | LTS0021312 |
| wikiData | Q105183649 |