Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0RB1V
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| Former ID |
DNC004629
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| Drug Name |
(-)-CATECHINGALLATE
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| Synonyms |
(-)-Catechin gallate; 130405-40-2; (2S,3R)-2-(3,4-Dihydroxyphenyl)-5,7-dihydroxychroman-3-yl 3,4,5-trihydroxybenzoate; catechin gallate; UNII-0KT1FO6VO6; ent-Catechin 3-O-gallate; 0KT1FO6VO6; CHEMBL129451; CHEBI:76131; (2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate; (2S,3R)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-1(2H)-benzopyran-3,5,7-triol 3-(3,4,5-trihydroxybenzoate); (-)-CATECHINGALLATE; Catechin gallate, (-)-; CCRIS 9303; Catechin gallateCG; (-)-Catechin gallate
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C22H18O10
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| Canonical SMILES |
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O
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| InChI |
1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21+/m1/s1
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| InChIKey |
LSHVYAFMTMFKBA-CTNGQTDRSA-N
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| CAS Number |
CAS 130405-40-2
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| PubChem Compound ID | ||||
| ChEBI ID |
CHEBI:76131
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| References | Top | |||
|---|---|---|---|---|
| REF 1 | Green tea catechins as a BACE1 (beta-secretase) inhibitor. Bioorg Med Chem Lett. 2003 Nov 17;13(22):3905-8. | |||
| REF 2 | Inhibition of Plasmodium falciparum fatty acid biosynthesis: evaluation of FabG, FabZ, and FabI as drug targets for flavonoids. J Med Chem. 2006 Jun 1;49(11):3345-53. | |||
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