Piscidanone

Details

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Internal ID 800c3f68-8d54-46a8-96db-8eec2f7f210d
Taxonomy Phenylpropanoids and polyketides > Isoflavonoids > Isoflav-2-enes > Isoflavones > 2-prenylated isoflavones
IUPAC Name 5,7-dihydroxy-3-(8-hydroxy-7-methoxy-2,2-dimethylchromen-5-yl)chromen-4-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C21H18O7/c1-21(2)5-4-11-12(8-16(26-3)19(25)20(11)28-21)13-9-27-15-7-10(22)6-14(23)17(15)18(13)24/h4-9,22-23,25H,1-3H3
InChI Key WHEMTMQWUKJLIV-UHFFFAOYSA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C21H18O7
Molecular Weight 382.40 g/mol
Exact Mass 382.10525291 g/mol
Topological Polar Surface Area (TPSA) 105.00 Ų
XlogP 3.60

Synonyms

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140447-85-4
5,7,4'-Trihydroxy-5'-methoxy-6'',6''-dimethylpyrano(2'',3'':3',2')isoflavone
DTXSID90161396
5,7,8'-Trihydroxy-7'-methoxy-2',2'-dimethyl-2'H,4H-[3,5'-bi-1-benzopyran]-4-one

2D Structure

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2D Structure of Piscidanone

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 99.35% 91.11%
CHEMBL1806 P11388 DNA topoisomerase II alpha 94.88% 89.00%
CHEMBL2581 P07339 Cathepsin D 94.04% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 93.06% 95.56%
CHEMBL1293249 Q13887 Kruppel-like factor 5 92.45% 86.33%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 91.87% 94.00%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 91.65% 94.45%
CHEMBL4208 P20618 Proteasome component C5 90.99% 90.00%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 88.46% 96.09%
CHEMBL3060 Q9Y345 Glycine transporter 2 87.65% 99.17%
CHEMBL1937 Q92769 Histone deacetylase 2 87.21% 94.75%
CHEMBL2535 P11166 Glucose transporter 86.80% 98.75%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 86.47% 99.23%
CHEMBL3864 Q06124 Protein-tyrosine phosphatase 2C 85.71% 94.42%
CHEMBL2002 P12268 Inosine-5'-monophosphate dehydrogenase 2 84.80% 98.21%
CHEMBL1255126 O15151 Protein Mdm4 83.33% 90.20%
CHEMBL4051 P13569 Cystic fibrosis transmembrane conductance regulator 83.00% 95.71%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 82.27% 99.15%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 82.20% 97.14%

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.
Piscidia piscipula

Cross-Links

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PubChem 5481229
LOTUS LTS0228068
wikiData Q83029802