5,6,7-trimethoxy-2-phenyl-4-[(5,6,7-trimethoxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl)oxy]-3,4-dihydro-2H-chromene

Details

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Internal ID 77879a5a-6907-4bf5-873d-b8550437f534
Taxonomy Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 7-O-methylated flavonoids
IUPAC Name 5,6,7-trimethoxy-2-phenyl-4-[(5,6,7-trimethoxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl)oxy]-3,4-dihydro-2H-chromene
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C36H38O9/c1-37-29-19-27-31(35(41-5)33(29)39-3)25(17-23(43-27)21-13-9-7-10-14-21)45-26-18-24(22-15-11-8-12-16-22)44-28-20-30(38-2)34(40-4)36(42-6)32(26)28/h7-16,19-20,23-26H,17-18H2,1-6H3
InChI Key ATLLKSBDVDILGN-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C36H38O9
Molecular Weight 614.70 g/mol
Exact Mass 614.25158279 g/mol
Topological Polar Surface Area (TPSA) 83.10 Ų
XlogP 6.20

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 5,6,7-trimethoxy-2-phenyl-4-[(5,6,7-trimethoxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl)oxy]-3,4-dihydro-2H-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 93.39% 96.09%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 91.61% 95.56%
CHEMBL1293249 Q13887 Kruppel-like factor 5 91.50% 86.33%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 90.70% 91.11%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 86.97% 97.14%
CHEMBL4306 P22460 Voltage-gated potassium channel subunit Kv1.5 86.67% 94.03%
CHEMBL3137262 O60341 LSD1/CoREST complex 85.99% 97.09%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 84.18% 96.00%
CHEMBL3060 Q9Y345 Glycine transporter 2 83.93% 99.17%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 81.38% 85.14%
CHEMBL2535 P11166 Glucose transporter 80.13% 98.75%

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.
Beilschmiedia zenkeri

Cross-Links

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PubChem 75082887
LOTUS LTS0117256
wikiData Q104918517