Details of the Drug
General Information of Drug (ID: DMG6S2V)
Drug Name |
THEASINENSIN A
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Synonyms |
Theasinensin A; Theasinensin D; BGCDG; Spectrum_000210; SpecPlus_000187; CHEBI:9518; CHEMBL349197; 89064-31-3; 2',2'-BISEPIGALLOCATECHIN DIGALLATE; [(2R,3R)-2-[2-[6-[(2R,3R)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-chroman-2-yl]-2,3,4-trihydroxy-phenyl]-3,4,5-trihydroxy-phenyl]-5,7-dihydroxy-chroman-3-yl] 3,4,5-trihydroxybenzoate; theasinensin A (D); Spectrum4_000886; Spectrum5_000886; Spectrum3_001800; Spectrum2_000166; AC1L9D1Q; KBioSS_000690; KBioGR_001292; BSPBio_003359; DivK1c_006283; SCHEMBL449649; SPBio_000031
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Indication |
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Drug Type |
Small molecular drug
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Structure |
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3D MOL | 2D MOL | |||||||||||||||||||
#Ro5 Violations (Lipinski): 3 | Molecular Weight (mw) | 914.7 | ||||||||||||||||||
Topological Polar Surface Area (xlogp) | 4.2 | |||||||||||||||||||
Rotatable Bond Count (rotbonds) | 9 | |||||||||||||||||||
Hydrogen Bond Donor Count (hbonddonor) | 16 | |||||||||||||||||||
Hydrogen Bond Acceptor Count (hbondacc) | 22 | |||||||||||||||||||
Chemical Identifiers |
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Cross-matching ID | ||||||||||||||||||||
Molecular Interaction Atlas of This Drug
![]() Drug Therapeutic Target (DTT) |
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Molecular Interaction Atlas (MIA) | |||||||||||||||||||||||||||
Molecular Expression Atlas of This Drug
The Studied Disease | Discovery agent | |||||||||||||||||||||||
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ICD Disease Classification | N.A. | |||||||||||||||||||||||
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Molecular Expression Atlas (MEA) | ||||||||||||||||||||||||
References