Neoacrimarine F
| Internal ID | 4fd6eec0-e24f-4d6e-948b-c520fb0dfeb8 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Benzoquinolines > Acridines > Acridones |
| IUPAC Name | 1,6-dihydroxy-5-[(9-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl)oxy]-3-methoxy-10-methylacridin-9-one |
| SMILES (Canonical) | CC1(C(C(C2=C(O1)C=CC3=C2OC(=O)C=C3)OC4=C(C=CC5=C4N(C6=C(C5=O)C(=CC(=C6)OC)O)C)O)O)C |
| SMILES (Isomeric) | CC1(C(C(C2=C(O1)C=CC3=C2OC(=O)C=C3)OC4=C(C=CC5=C4N(C6=C(C5=O)C(=CC(=C6)OC)O)C)O)O)C |
| InChI | InChI=1S/C29H25NO9/c1-29(2)28(35)27(22-19(39-29)9-5-13-6-10-20(33)37-25(13)22)38-26-17(31)8-7-15-23(26)30(3)16-11-14(36-4)12-18(32)21(16)24(15)34/h5-12,27-28,31-32,35H,1-4H3 |
| InChI Key | VMABFFUJXPHEJX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H25NO9 |
| Molecular Weight | 531.50 g/mol |
| Exact Mass | 531.15293138 g/mol |
| Topological Polar Surface Area (TPSA) | 135.00 Ų |
| XlogP | 4.20 |
| (+)-Neoacrimarine-F |
| 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 | 98.52% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.87% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.27% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.79% | 94.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 96.66% | 99.15% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.60% | 95.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 94.77% | 93.99% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.20% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 93.06% | 99.23% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.45% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.44% | 96.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.68% | 90.00% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 90.40% | 80.78% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 90.34% | 94.42% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.75% | 98.75% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 85.72% | 97.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.68% | 92.62% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 84.08% | 85.49% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 83.50% | 96.77% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 82.85% | 83.82% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.27% | 86.33% |
| CHEMBL204 | P00734 | Thrombin | 82.18% | 96.01% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 80.68% | 93.10% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.44% | 94.75% |
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 | 131751137 |
| LOTUS | LTS0221114 |
| wikiData | Q105288858 |