CHEBI:146216 - 2,3,6,8,9-pentahydroxy-3-(2-oxopropyl)-1,2,3,4-tetrahydroanthracen-1-one

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ChEBI Name 2,3,6,8,9-pentahydroxy-3-(2-oxopropyl)-1,2,3,4-tetrahydroanthracen-1-one
ChEBI ID CHEBI:146216
Definition A member of the class of anthracenones that is 3,4-tetrahydroanthracen-1-one which is substituted by hydroxy groups at positions 2, 3, 6, 8 and 9, and a 2-oxopropyl group at position 3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information ZINC000085560803
Download Molfile XML SDF
Formula C17H16O7
Net Charge 0
Average Mass 332.308
Monoisotopic Mass 332.08960
InChI InChI=1S/C17H16O7/c1-7(18)5-17(24)6-9-2-8-3-10(19)4-11(20)12(8)14(21)13(9)15(22)16(17)23/h2-4,16,19-21,23-24H,5-6H2,1H3
InChIKey HHMCVNYEPCHWIX-UHFFFAOYSA-N
SMILES C1=C2C(=C(C3=C1C=C(C=C3O)O)O)C(C(C(C2)(CC(C)=O)O)O)=O
Roles Classification
Biological Role(s): Aspergillus metabolite
Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 2,3,6,8,9-pentahydroxy-3-(2-oxopropyl)-1,2,3,4-tetrahydroanthracen-1-one (CHEBI:146216) has functional parent asperthecin (CHEBI:64161)
2,3,6,8,9-pentahydroxy-3-(2-oxopropyl)-1,2,3,4-tetrahydroanthracen-1-one (CHEBI:146216) has role Aspergillus metabolite (CHEBI:76956)
2,3,6,8,9-pentahydroxy-3-(2-oxopropyl)-1,2,3,4-tetrahydroanthracen-1-one (CHEBI:146216) is a α-hydroxy ketone (CHEBI:139588)
2,3,6,8,9-pentahydroxy-3-(2-oxopropyl)-1,2,3,4-tetrahydroanthracen-1-one (CHEBI:146216) is a β-hydroxy ketone (CHEBI:55380)
2,3,6,8,9-pentahydroxy-3-(2-oxopropyl)-1,2,3,4-tetrahydroanthracen-1-one (CHEBI:146216) is a anthracenone (CHEBI:146281)
2,3,6,8,9-pentahydroxy-3-(2-oxopropyl)-1,2,3,4-tetrahydroanthracen-1-one (CHEBI:146216) is a aromatic ketone (CHEBI:76224)
2,3,6,8,9-pentahydroxy-3-(2-oxopropyl)-1,2,3,4-tetrahydroanthracen-1-one (CHEBI:146216) is a cyclic ketone (CHEBI:3992)
2,3,6,8,9-pentahydroxy-3-(2-oxopropyl)-1,2,3,4-tetrahydroanthracen-1-one (CHEBI:146216) is a methyl ketone (CHEBI:51867)
2,3,6,8,9-pentahydroxy-3-(2-oxopropyl)-1,2,3,4-tetrahydroanthracen-1-one (CHEBI:146216) is a phenols (CHEBI:33853)
2,3,6,8,9-pentahydroxy-3-(2-oxopropyl)-1,2,3,4-tetrahydroanthracen-1-one (CHEBI:146216) is a secondary alcohol (CHEBI:35681)
2,3,6,8,9-pentahydroxy-3-(2-oxopropyl)-1,2,3,4-tetrahydroanthracen-1-one (CHEBI:146216) is a tertiary alcohol (CHEBI:26878)
IUPAC Name
2,3,6,8,9-pentahydroxy-3-(2-oxopropyl)-3,4-dihydroanthracen-1(2H)-one
Synonym Source
2,3,6,8,9-pentahydroxy-3-(2-oxopropyl)-1,2,3,4-tetrahydroanthracen-1-one UniProt
Citation Type Source
21866960 PubMed citation SUBMITTER
Last Modified
11 May 2020