6,11-dihydroxy-3,3-dimethyl-5-phenyl-12H-pyrano[2,3-c]acridin-7-one

Details

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Internal ID 2171421d-4a5f-4e13-b8d5-b5af40785d9a
Taxonomy Organoheterocyclic compounds > Quinolines and derivatives > Phenylquinolines
IUPAC Name 6,11-dihydroxy-3,3-dimethyl-5-phenyl-12H-pyrano[2,3-c]acridin-7-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C24H19NO4/c1-24(2)12-11-15-20-18(21(27)14-9-6-10-16(26)19(14)25-20)22(28)17(23(15)29-24)13-7-4-3-5-8-13/h3-12,26,28H,1-2H3,(H,25,27)
InChI Key OKQCZZWIGHSNHJ-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C24H19NO4
Molecular Weight 385.40 g/mol
Exact Mass 385.13140809 g/mol
Topological Polar Surface Area (TPSA) 78.80 Ų
XlogP 5.40

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 6,11-dihydroxy-3,3-dimethyl-5-phenyl-12H-pyrano[2,3-c]acridin-7-one

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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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 99.10% 91.11%
CHEMBL3192 Q9BY41 Histone deacetylase 8 99.05% 93.99%
CHEMBL1937 Q92769 Histone deacetylase 2 98.88% 94.75%
CHEMBL2581 P07339 Cathepsin D 98.23% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 96.41% 95.56%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 96.19% 94.45%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 95.42% 99.23%
CHEMBL1806 P11388 DNA topoisomerase II alpha 94.34% 89.00%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 92.79% 85.14%
CHEMBL3830 Q2M2I8 Adaptor-associated kinase 89.06% 83.10%
CHEMBL5103 Q969S8 Histone deacetylase 10 88.77% 90.08%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 88.09% 99.15%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 88.05% 96.09%
CHEMBL1951 P21397 Monoamine oxidase A 87.62% 91.49%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 86.89% 95.50%
CHEMBL213 P08588 Beta-1 adrenergic receptor 85.60% 95.56%
CHEMBL2083 P15090 Fatty acid binding protein adipocyte 85.47% 95.71%
CHEMBL3401 O75469 Pregnane X receptor 85.19% 94.73%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 84.39% 94.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 84.16% 86.33%
CHEMBL3310 Q96DB2 Histone deacetylase 11 83.22% 88.56%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 82.36% 94.62%
CHEMBL1907 P15144 Aminopeptidase N 82.08% 93.31%
CHEMBL210 P07550 Beta-2 adrenergic receptor 81.21% 96.90%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 80.05% 91.71%

Plants that contains it

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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.
Swinglea glutinosa

Cross-Links

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PubChem 163098872
LOTUS LTS0070072
wikiData Q104193461