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Inhibitor Report for: Rocaglate-Derived-beta-Lactone-5

Flavaglines, specifically rocaglate derivatives, are cyclopenta[b]benzofuran natural products isolated from the genus Aglaia. Here methyl rocaglate is modified to form a beta-lactone


General
Type Lactone, Benzofuran
Chemical_Nomenclature (1S,9R,10S,11R,14R)-1-hydroxy-3,5-dimethoxy-9-(4-methoxyphenyl)-10-phenyl-8,13-dioxatetracyclo[7.5.0.02,7.011,14]tetradeca-2(7),3,5-trien-12-one
Canonical SMILES COC1=CC=C(C=C1)C23C(C4C(C2(C5=C(C=C(C=C5O3)OC)OC)O)OC4=O)C6=CC=CC=C6
InChI InChI=1S/C27H24O7/c1-30-17-11-9-16(10-12-17)27-22(15-7-5-4-6-8-15)21-24(33-25(21)28)26(27,29)23-19(32-3)13-18(31-2)14-20(23)34-27/h4-14,21-22,24,29H,1-3H3/t21-,22-,24-,26+,27+/m1/s1
InChIKey OFFBQQGXZVASRE-PXIJUOARSA-N
Other name(s) CCG-223434 ; 2,3,3a,8b-Tetrahydro-1alpha,8bbeta-dihydroxy-3beta-phenyl-3abeta-(4-methoxyphenyl)-6,8-dimethoxy-1H-cyclopenta[b]benzofuran-2alpha-carboxylic acid 2,1-lactone
________________________________________________________________________________________________
MW|460.48
Formula|C27H24O7
CAS_number|
PubChem|73441240
UniChem|OFFBQQGXZVASRE-PXIJUOARSA-N
IUPHAR|
Wikipedia|

Target
Families | Rocaglate-Derived-beta-Lactone-5 ligand of proteins in family: ABHD10, Carboxypeptidase_S10, Acyl-CoA_Thioesterase
Protein | human-ABHD10, human-SCPEP1, human-ACOT1, human-ACOT2, human-CTSA

References:
Search PubMed for references concerning: Rocaglate-Derived-beta-Lactone-5
    Title: Remodeling natural products: chemistry and serine hydrolase activity of a rocaglate-derived beta-lactone
    Lajkiewicz NJ, Cognetta AB, 3rd, Niphakis MJ, Cravatt BF, Porco JA, Jr.
    Ref: Journal of the American Chemical Society, 136:2659, 2014 : PubMed