cudraflavone A

Details

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Internal ID fec330fe-d80f-44c0-95d7-9a5f0c569db7
Taxonomy Phenylpropanoids and polyketides > Flavonoids > Pyranoflavonoids
IUPAC Name 7,15-dihydroxy-19,19-dimethyl-11-(2-methylprop-1-enyl)-2,10,20-trioxapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4(9),5,7,14,16(21),17-octaen-13-one
SMILES (Canonical) CC(=CC1C2=C(C3=C(O1)C=C(C=C3)O)OC4=CC5=C(C=CC(O5)(C)C)C(=C4C2=O)O)C
SMILES (Isomeric) CC(=CC1C2=C(C3=C(O1)C=C(C=C3)O)OC4=CC5=C(C=CC(O5)(C)C)C(=C4C2=O)O)C
InChI InChI=1S/C25H22O6/c1-12(2)9-18-21-23(28)20-19(11-17-14(22(20)27)7-8-25(3,4)31-17)30-24(21)15-6-5-13(26)10-16(15)29-18/h5-11,18,26-27H,1-4H3
InChI Key UEENYRGPBCHSLB-UHFFFAOYSA-N
Popularity 6 references in papers

Physical and Chemical Properties

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Molecular Formula C25H22O6
Molecular Weight 418.40 g/mol
Exact Mass 418.14163842 g/mol
Topological Polar Surface Area (TPSA) 85.20 Ų
XlogP 5.20

Synonyms

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Isocyclomorusin
CHEMBL230558
19275-52-6
3,8-Dihydroxy-11,11-dimethyl-6-(2-methyl-propenyl)-6H,11H-5,12,14-trioxa-benzo[a]naphthacen-7-one
96843-73-1
(-)-Cudraflavone A
CHEBI:176046
DTXSID101319079
BDBM50217274
LMPK12110923
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of cudraflavone A

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 99.06% 91.11%
CHEMBL1806 P11388 DNA topoisomerase II alpha 97.53% 89.00%
CHEMBL1951 P21397 Monoamine oxidase A 97.49% 91.49%
CHEMBL2581 P07339 Cathepsin D 96.40% 98.95%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 91.11% 94.45%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 90.74% 95.56%
CHEMBL3401 O75469 Pregnane X receptor 88.65% 94.73%
CHEMBL1293249 Q13887 Kruppel-like factor 5 86.93% 86.33%
CHEMBL5966 P55899 IgG receptor FcRn large subunit p51 85.79% 90.93%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 85.73% 90.71%
CHEMBL3864 Q06124 Protein-tyrosine phosphatase 2C 83.39% 94.42%
CHEMBL2107 P61073 C-X-C chemokine receptor type 4 83.23% 93.10%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 82.93% 99.23%
CHEMBL1994 P08235 Mineralocorticoid receptor 82.64% 100.00%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 82.46% 96.09%
CHEMBL2553 Q15418 Ribosomal protein S6 kinase alpha 1 82.37% 85.11%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 81.15% 94.00%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 80.95% 85.14%
CHEMBL5608 Q16288 NT-3 growth factor receptor 80.68% 95.89%
CHEMBL3713062 P10646 Tissue factor pathway inhibitor 80.35% 97.33%

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.
Artocarpus altilis
Artocarpus chama
Artocarpus gomezianus
Artocarpus hypargyreus
Artocarpus integer
Brosimum lactescens
Hypericum geminiflorum
Maclura tricuspidata
Morus alba

Cross-Links

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PubChem 5316261
NPASS NPC321623
ChEMBL CHEMBL230558
LOTUS LTS0084221
wikiData Q104401368