Tephrowatsin D

Details

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Internal ID aef9b522-2d71-4054-88b7-575534382c71
Taxonomy Phenylpropanoids and polyketides > Flavonoids > Flavans > 8-prenylated flavans
IUPAC Name 2,5,7-trimethoxy-8-(3-methylbut-2-enyl)-2-phenyl-3,4-dihydrochromene
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C23H28O4/c1-16(2)11-12-18-20(24-3)15-21(25-4)19-13-14-23(26-5,27-22(18)19)17-9-7-6-8-10-17/h6-11,15H,12-14H2,1-5H3
InChI Key FNZKAXPXZXWCFJ-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C23H28O4
Molecular Weight 368.50 g/mol
Exact Mass 368.19875937 g/mol
Topological Polar Surface Area (TPSA) 36.90 Ų
XlogP 5.50

Synonyms

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CHEBI:186259
LMPK12020280
2,5,7-trimethoxy-8-(3-methylbut-2-enyl)-2-phenyl-3,4-dihydrochromene

2D Structure

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2D Structure of Tephrowatsin D

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 98.75% 91.11%
CHEMBL1293249 Q13887 Kruppel-like factor 5 94.75% 86.33%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.40% 96.09%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 88.79% 94.62%
CHEMBL3192 Q9BY41 Histone deacetylase 8 88.53% 93.99%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 86.63% 95.56%
CHEMBL1821 P08173 Muscarinic acetylcholine receptor M4 85.87% 94.08%
CHEMBL2716 Q8WUI4 Histone deacetylase 7 85.63% 89.44%
CHEMBL4306 P22460 Voltage-gated potassium channel subunit Kv1.5 85.63% 94.03%
CHEMBL4208 P20618 Proteasome component C5 84.84% 90.00%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 84.72% 96.00%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 82.15% 92.62%
CHEMBL240 Q12809 HERG 81.78% 89.76%
CHEMBL5028 O14672 ADAM10 81.55% 97.50%
CHEMBL2581 P07339 Cathepsin D 81.51% 98.95%
CHEMBL2535 P11166 Glucose transporter 80.92% 98.75%
CHEMBL3401 O75469 Pregnane X receptor 80.56% 94.73%
CHEMBL5608 Q16288 NT-3 growth factor receptor 80.39% 95.89%

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.
Tephrosia watsoniana

Cross-Links

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PubChem 44257203
LOTUS LTS0079622
wikiData Q104998623