1,6-dihydroxy-5-[[(9S,10R)-9-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl]oxy]-3-methoxy-10H-acridin-9-one
Internal ID | f04308fa-dee6-4ef4-b86b-e5708dca6d1e |
Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Benzoquinolines > Acridines > Acridones |
IUPAC Name | 1,6-dihydroxy-5-[[(9S,10R)-9-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl]oxy]-3-methoxy-10H-acridin-9-one |
SMILES (Canonical) | CC1(C(C(C2=C(O1)C=CC3=C2OC(=O)C=C3)OC4=C(C=CC5=C4NC6=C(C5=O)C(=CC(=C6)OC)O)O)O)C |
SMILES (Isomeric) | CC1([C@H]([C@@H](C2=C(O1)C=CC3=C2OC(=O)C=C3)OC4=C(C=CC5=C4NC6=C(C5=O)C(=CC(=C6)OC)O)O)O)C |
InChI | InChI=1S/C28H23NO9/c1-28(2)27(34)26(21-18(38-28)8-4-12-5-9-19(32)36-24(12)21)37-25-16(30)7-6-14-22(25)29-15-10-13(35-3)11-17(31)20(15)23(14)33/h4-11,26-27,30-31,34H,1-3H3,(H,29,33)/t26-,27+/m1/s1 |
InChI Key | LCGFAZIBUURPDA-SXOMAYOGSA-N |
Popularity | 0 references in papers |
Molecular Formula | C28H23NO9 |
Molecular Weight | 517.50 g/mol |
Exact Mass | 517.13728131 g/mol |
Topological Polar Surface Area (TPSA) | 144.00 Ų |
XlogP | 4.00 |
There are no found synonyms. |
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 | 99.76% | 91.11% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 99.67% | 94.45% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.86% | 94.00% |
CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 95.75% | 93.99% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 95.71% | 99.15% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.58% | 95.56% |
CHEMBL2581 | P07339 | Cathepsin D | 94.81% | 98.95% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 94.56% | 99.23% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 94.44% | 94.75% |
CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 90.93% | 85.49% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 89.69% | 91.49% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.40% | 89.00% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.39% | 92.94% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.80% | 96.09% |
CHEMBL4208 | P20618 | Proteasome component C5 | 88.36% | 90.00% |
CHEMBL2535 | P11166 | Glucose transporter | 87.36% | 98.75% |
CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 87.05% | 95.56% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.25% | 85.14% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.02% | 97.09% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.77% | 92.62% |
CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 84.60% | 93.40% |
CHEMBL2292 | Q13627 | Dual-specificity tyrosine-phosphorylation regulated kinase 1A | 82.56% | 93.24% |
CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 81.95% | 80.78% |
CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 80.45% | 85.30% |
CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 80.38% | 89.44% |
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 | 163187007 |
LOTUS | LTS0038066 |
wikiData | Q105149811 |