Citrinin hydrate

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Category Enzyme inhibitors
Catalog number BBF-00351
CAS 157643-56-6
Molecular Weight 268.26
Molecular Formula C13H16O6

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Description

It is produced by the strain of Penicillum sp. AB 2089ZZD-62 (NRRL 22559). Citrinin hydrate is a human rhinovirus 3C protease inhibitor with the IC50 of 1.0 mmol/L.

Specification

Synonyms (1s,3r,4s)-1,6,8-trihydroxy-3,4,5-trimethyl-3,4-dihydro-1h-isochromene-7-carboxylic acid; 3,4-Dihydro-1,6,8-trihydroxy-3,4,5-trimethyl-1H-2-benzopyran-7-carboxylic acid
IUPAC Name (1S,3R,4S)-1,6,8-trihydroxy-3,4,5-trimethyl-3,4-dihydro-1H-isochromene-7-carboxylic acid
Canonical SMILES CC1C(OC(C2=C(C(=C(C(=C12)C)O)C(=O)O)O)O)C
InChI InChI=1S/C13H16O6/c1-4-6(3)19-13(18)8-7(4)5(2)10(14)9(11(8)15)12(16)17/h4,6,13-15,18H,1-3H3,(H,16,17)/t4-,6-,13+/m1/s1
InChI Key MBTAFMZUDOUGPS-CGKQSRJASA-N

Properties

Appearance Orange Solid

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Concentration (start) x Volume (start) = Concentration (final) x Volume (final)
It is commonly abbreviated as: C1V1 = C2V2

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Tip: Chemical formula is case sensitive. C22H30N4O c22h30n40
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