6-ethoxy-5-methoxy-2,2-dimethyl-8-phenyl-7,8-dihydro-6H-pyrano[3,2-g]chromene

Details

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Internal ID 6ec6846a-56cc-477a-9e5e-1ae6ae4eae3d
Taxonomy Phenylpropanoids and polyketides > Flavonoids > Pyranoflavonoids
IUPAC Name 6-ethoxy-5-methoxy-2,2-dimethyl-8-phenyl-7,8-dihydro-6H-pyrano[3,2-g]chromene
SMILES (Canonical) CCOC1CC(OC2=C1C(=C3C=CC(OC3=C2)(C)C)OC)C4=CC=CC=C4
SMILES (Isomeric) CCOC1CC(OC2=C1C(=C3C=CC(OC3=C2)(C)C)OC)C4=CC=CC=C4
InChI InChI=1S/C23H26O4/c1-5-25-19-13-17(15-9-7-6-8-10-15)26-20-14-18-16(22(24-4)21(19)20)11-12-23(2,3)27-18/h6-12,14,17,19H,5,13H2,1-4H3
InChI Key JUEHBQGSIXIHCE-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C23H26O4
Molecular Weight 366.40 g/mol
Exact Mass 366.18310931 g/mol
Topological Polar Surface Area (TPSA) 36.90 Ų
XlogP 4.50

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 6-ethoxy-5-methoxy-2,2-dimethyl-8-phenyl-7,8-dihydro-6H-pyrano[3,2-g]chromene

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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 97.71% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 97.35% 91.11%
CHEMBL3137262 O60341 LSD1/CoREST complex 92.93% 97.09%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 92.66% 85.14%
CHEMBL1293249 Q13887 Kruppel-like factor 5 92.55% 86.33%
CHEMBL4306 P22460 Voltage-gated potassium channel subunit Kv1.5 90.29% 94.03%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 90.24% 94.45%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 90.20% 92.62%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 89.79% 97.14%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 85.98% 95.56%
CHEMBL2581 P07339 Cathepsin D 84.35% 98.95%
CHEMBL3060 Q9Y345 Glycine transporter 2 83.49% 99.17%
CHEMBL4208 P20618 Proteasome component C5 81.56% 90.00%
CHEMBL221 P23219 Cyclooxygenase-1 81.28% 90.17%

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.
Lonchocarpus guatemalensis

Cross-Links

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PubChem 162853636
LOTUS LTS0165153
wikiData Q105135178