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Inhibitor Report for: TerreulactoneA

Produced by Aspergillus terreus Fb000501. IC50 0.23 microM for ACHE IC50 >200 microM for BCHE


General
Type Natural, Meroterpenoid
Chemical_Nomenclature (1R,4R,13R,14R,16R)-13-hydroxy-16-methoxy-8-(4-methoxyphenyl)-4,14,19,19-tetramethyl-5,9,18-trioxapentacyclo[14.2.1.01,14.04,13.06,11]nonadeca-6(11),7-diene-10,15,17-trione
Canonical SMILES CC1(C23CCC4(C(C2(C(=O)C1(C(=O)O3)OC)C)(CC5=C(O4)C=C(OC5=O)C6=CC=C(C=C6)OC)O)C)C
InChI InChI=1S/C28H30O9/c1-23(2)27-12-11-24(3)26(32,25(27,4)21(30)28(23,34-6)22(31)37-27)14-17-19(36-24)13-18(35-20(17)29)15-7-9-16(33-5)10-8-15/h7-10,13,32H,11-12,14H2,1-6H3/t24-,25-,26+,27-,28-/m1/s1
InChIKey AOFMVUCAUSHJLI-RKFAPSRVSA-N
Other name(s) Terreulactone A ; CHEMBL183507 ; BDBM50157912 ; Q15427889 ; 13-hydroxy-16-methoxy-8-(4-methoxyphenyl)-4,14,19,19-tetramethyl-5,9,18-trioxapentacyclo[14.2.1.01,14.04,13.06,11]nonadeca-6(11),7-diene-10,15,17-trione
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MW|510.5
Formula|C28H30O9
CAS_number|
PubChem|44391786
UniChem|AOFMVUCAUSHJLI-RKFAPSRVSA-N
IUPHAR|
Wikipedia|

Target
Families | TerreulactoneA ligand of proteins in family: ACHE

References:
Search PubMed for references concerning: TerreulactoneA
    Title: Terreulactones A, B, C, and D: novel acetylcholinesterase inhibitors produced by Aspergillus terreus. I. Taxonomy, fermentation, isolation and biological activities
    Cho KM, Kim WG, Lee CK, Yoo ID
    Ref: J Antibiot (Tokyo), 56:344, 2003 : PubMed

            

    Title: Terreulactones A, B, C, and D: novel acetylcholinesterase inhibitors produced by Aspergillus terreus. II. Physico-chemical properties and structure determination
    Kim WG, Cho KM, Lee CK, Yoo ID
    Ref: J Antibiot (Tokyo), 56:351, 2003 : PubMed