Heteroflavanone B

Details

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Internal ID a7fb47e5-4914-4007-b5cd-8a7402071eca
Taxonomy Phenylpropanoids and polyketides > Flavonoids > Flavans > 8-prenylated flavans > 8-prenylated flavanones
IUPAC Name 5-hydroxy-7-methoxy-8-(3-methylbut-2-enyl)-2-(2,4,6-trimethoxyphenyl)-2,3-dihydrochromen-4-one
SMILES (Canonical) CC(=CCC1=C(C=C(C2=C1OC(CC2=O)C3=C(C=C(C=C3OC)OC)OC)O)OC)C
SMILES (Isomeric) CC(=CCC1=C(C=C(C2=C1OC(CC2=O)C3=C(C=C(C=C3OC)OC)OC)O)OC)C
InChI InChI=1S/C24H28O7/c1-13(2)7-8-15-18(28-4)11-16(25)22-17(26)12-21(31-24(15)22)23-19(29-5)9-14(27-3)10-20(23)30-6/h7,9-11,21,25H,8,12H2,1-6H3
InChI Key CQHDMUSZBYPHBO-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C24H28O7
Molecular Weight 428.50 g/mol
Exact Mass 428.18350323 g/mol
Topological Polar Surface Area (TPSA) 83.40 Ų
XlogP 4.90

Synonyms

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CHEBI:169821
LMPK12140479
5-Hydroxy-2',4',6',7-tetramethoxy-8-prenylflavanone
8-(gamma,gamma-dimethylallyl)5-hydroxy-7,2',4',6'-tetramethoxyflavanone
5-hydroxy-7-methoxy-8-(3-methylbut-2-enyl)-2-(2,4,6-trimethoxyphenyl)-2,3-dihydrochromen-4-one

2D Structure

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2D Structure of Heteroflavanone B

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 99.13% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.20% 96.09%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 94.01% 94.45%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 92.67% 95.56%
CHEMBL4208 P20618 Proteasome component C5 89.78% 90.00%
CHEMBL3060 Q9Y345 Glycine transporter 2 89.29% 99.17%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 88.88% 94.00%
CHEMBL2581 P07339 Cathepsin D 88.82% 98.95%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 88.41% 92.62%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 88.21% 85.14%
CHEMBL1293249 Q13887 Kruppel-like factor 5 87.99% 86.33%
CHEMBL1929 P47989 Xanthine dehydrogenase 87.42% 96.12%
CHEMBL5608 Q16288 NT-3 growth factor receptor 87.34% 95.89%
CHEMBL3401 O75469 Pregnane X receptor 85.28% 94.73%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 85.09% 99.15%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 84.63% 91.07%
CHEMBL240 Q12809 HERG 84.09% 89.76%
CHEMBL241 Q14432 Phosphodiesterase 3A 82.96% 92.94%
CHEMBL2535 P11166 Glucose transporter 82.31% 98.75%
CHEMBL1806 P11388 DNA topoisomerase II alpha 81.49% 89.00%
CHEMBL3137262 O60341 LSD1/CoREST complex 81.44% 97.09%
CHEMBL3192 Q9BY41 Histone deacetylase 8 80.98% 93.99%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 80.48% 99.23%

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 heterophyllus
Artocarpus integer

Cross-Links

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PubChem 42608026
LOTUS LTS0036287
wikiData Q104402560