2-(3,8-Dihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-7-hydroxy-2,3-dihydrochromen-4-one

Details

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Internal ID 08f53d05-3676-4dff-b702-32084917873b
Taxonomy Phenylpropanoids and polyketides > Flavonoids > Flavans > 3-prenylated flavans > 3-prenylated flavanones
IUPAC Name 2-(3,8-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-7-hydroxy-2,3-dihydrochromen-4-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C20H20O6/c1-20(2)18(24)7-11-5-10(6-15(23)19(11)26-20)16-9-14(22)13-4-3-12(21)8-17(13)25-16/h3-6,8,16,18,21,23-24H,7,9H2,1-2H3
InChI Key VQRCDZLYMBXGNJ-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C20H20O6
Molecular Weight 356.40 g/mol
Exact Mass 356.12598835 g/mol
Topological Polar Surface Area (TPSA) 96.20 Ų
XlogP 2.20

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 2-(3,8-Dihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-7-hydroxy-2,3-dihydrochromen-4-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 99.03% 91.11%
CHEMBL4040 P28482 MAP kinase ERK2 95.32% 83.82%
CHEMBL236 P41143 Delta opioid receptor 94.44% 99.35%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.10% 96.09%
CHEMBL2581 P07339 Cathepsin D 93.63% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 93.58% 95.56%
CHEMBL1806 P11388 DNA topoisomerase II alpha 91.78% 89.00%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 91.54% 85.14%
CHEMBL1951 P21397 Monoamine oxidase A 90.94% 91.49%
CHEMBL3137262 O60341 LSD1/CoREST complex 88.80% 97.09%
CHEMBL1293249 Q13887 Kruppel-like factor 5 87.72% 86.33%
CHEMBL242 Q92731 Estrogen receptor beta 87.35% 98.35%
CHEMBL2553 Q15418 Ribosomal protein S6 kinase alpha 1 87.16% 85.11%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 86.75% 93.40%
CHEMBL1994 P08235 Mineralocorticoid receptor 86.35% 100.00%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 86.12% 90.71%
CHEMBL4208 P20618 Proteasome component C5 85.70% 90.00%
CHEMBL5608 Q16288 NT-3 growth factor receptor 85.68% 95.89%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 84.70% 99.23%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 81.77% 94.00%
CHEMBL3351 Q13085 Acetyl-CoA carboxylase 1 81.60% 93.04%

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.
Erythrina abyssinica

Cross-Links

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PubChem 75053719
LOTUS LTS0201353
wikiData Q105291436