F-9775A (CHEBI:64405)

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ChEBI Name	F-9775A

ChEBI ID	CHEBI:64405

Definition	An organic heteropentacyclic compound and polyketide that is 11a,11b-dihydrobenzo[b]cyclopenta[2,3]indeno[4,5-e][1,4]dioxine-6,8,9(8aH)-trione which is substituted by hydroxy groups at positions 4 and 7, and by methyl groups at the 2, 8a, 11 and 11b positions. A cathepsin K inhibitor, it was first isolated from Paecilomyces carneus and subsequently obtained from Aspergillus nidulans cocultivated with a soil-dwelling actinomycete.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C22H18O7

Net Charge

Average Mass

394.37410

Monoisotopic Mass

394.10525

InChI

InChI=1S/C22H18O7/c1-8-5-10(23)16-11(6-8)28-20-17(29-16)15(26)14(25)13-19(27)21(3)12(24)7-9(2)18(21)22(13,20)4/h5-7,18,23,25H,1-4H3

InChIKey

BDVPUNXXZLFREO-UHFFFAOYSA-N

SMILES

Cc1cc(O)c2OC3=C(Oc2c1)C1(C)C2C(C)=CC(=O)C2(C)C(=O)C1=C(O)C3=O

Roles Classification
Biological Role(s):	fungal metabolite Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds. EC 3.4.22.38 (cathepsin K) inhibitor A cysteine protease inhibitor which inhibits cathepsin K (EC 3.4.22.38).

ChEBI Ontology
Outgoing	F-9775A (CHEBI:64405) has role EC 3.4.22.38 (cathepsin K) inhibitor (CHEBI:64406) F-9775A (CHEBI:64405) has role fungal metabolite (CHEBI:76946) F-9775A (CHEBI:64405) is a organic heteropentacyclic compound (CHEBI:38164) F-9775A (CHEBI:64405) is a phenols (CHEBI:33853) F-9775A (CHEBI:64405) is a polyketide (CHEBI:26188)

IUPAC Name

4,7-dihydroxy-2,8a,11,11b-tetramethyl-11a,11b-dihydrobenzo[b]cyclopenta[2,3]indeno[4,5-e][1,4]dioxine-6,8,9(8aH)-trione

Last Modified

05 August 2014