Paratocarpin H

Details

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Internal ID 498dc020-0fb9-448f-ac77-55499a03f98b
Taxonomy Phenylpropanoids and polyketides > Flavonoids > Flavans > 6-prenylated flavans > 6-prenylated flavanones
IUPAC Name 2-(2,2-dimethylchromen-6-yl)-5,7-dihydroxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C25H26O5/c1-14(2)5-7-17-18(26)12-22-23(24(17)28)19(27)13-21(29-22)15-6-8-20-16(11-15)9-10-25(3,4)30-20/h5-6,8-12,21,26,28H,7,13H2,1-4H3
InChI Key KIUWIMKWIXAROQ-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C25H26O5
Molecular Weight 406.50 g/mol
Exact Mass 406.17802393 g/mol
Topological Polar Surface Area (TPSA) 76.00 Ų
XlogP 5.60

Synonyms

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5,7-Dihydroxy-6-prenyl-6'',6''-dimethylpyrano[2'',3'':4',3']flavanone
LMPK12140315

2D Structure

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2D Structure of Paratocarpin H

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 99.77% 91.11%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 98.67% 85.14%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 98.39% 94.45%
CHEMBL2581 P07339 Cathepsin D 96.65% 98.95%
CHEMBL1951 P21397 Monoamine oxidase A 93.88% 91.49%
CHEMBL1806 P11388 DNA topoisomerase II alpha 93.66% 89.00%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 91.42% 96.09%
CHEMBL3137262 O60341 LSD1/CoREST complex 89.35% 97.09%
CHEMBL3401 O75469 Pregnane X receptor 88.92% 94.73%
CHEMBL5608 Q16288 NT-3 growth factor receptor 87.39% 95.89%
CHEMBL1994 P08235 Mineralocorticoid receptor 87.13% 100.00%
CHEMBL4208 P20618 Proteasome component C5 86.71% 90.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 85.70% 86.33%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 85.69% 93.40%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 85.12% 95.56%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 82.04% 99.23%
CHEMBL3192 Q9BY41 Histone deacetylase 8 81.92% 93.99%
CHEMBL3004 P33527 Multidrug resistance-associated protein 1 80.69% 96.37%
CHEMBL4051 P13569 Cystic fibrosis transmembrane conductance regulator 80.59% 95.71%

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.
Parartocarpus venenosus

Cross-Links

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PubChem 15200530
LOTUS LTS0203200
wikiData Q105141691