CHEBI:167576 - kinanthraquinone B

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ChEBI Name kinanthraquinone B
ChEBI ID CHEBI:167576
Definition A monohydroxyanthraquinone that is anthraquinone in which the hydrogen atoms at positions 1, 2, 5 and 6 are replaced hydroxy, 3-methylbut-3-enoic acid, methoxy and methoxy groups, respectively. It is a natural product isolated from Streptomyces sp. SN-593.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Martin Larralde
Supplier Information
Download Molfile XML SDF
Formula C21H18O7
Net Charge 0
Average Mass 382.368
Monoisotopic Mass 382.10525
InChI InChI=1S/C21H18O7/c1-10(9-15(22)23)8-11-4-5-12-16(18(11)24)19(25)13-6-7-14(27-2)21(28-3)17(13)20(12)26/h4-8,24H,9H2,1-3H3,(H,22,23)/b10-8-
InChIKey UBMNDGOTJSQUMP-NTMALXAHSA-N
SMILES COC1=C(OC)C2=C(C=C1)C(=O)C1=C(C=CC(\C=C(\C)CC(O)=O)=C1O)C2=O
Metabolite of Species Details
Streptomyces sp. SN-593 (NCBI:txid659352) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing kinanthraquinone B (CHEBI:167576) has role bacterial metabolite (CHEBI:76969)
kinanthraquinone B (CHEBI:167576) is a hydroxy monocarboxylic acid (CHEBI:35868)
kinanthraquinone B (CHEBI:167576) is a monohydroxyanthraquinone (CHEBI:37483)
kinanthraquinone B (CHEBI:167576) is a olefinic compound (CHEBI:78840)
kinanthraquinone B (CHEBI:167576) is a phenols (CHEBI:33853)
Incoming kinanthraquinone (CHEBI:167575) has functional parent kinanthraquinone B (CHEBI:167576)
IUPAC Name
(3Z)-4-(1-hydroxy-5,6-dimethoxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)-3-methylbut-3-enoic acid
Citation Waiting for Citations Type Source
33590007 PubMed citation SUBMITTER
Last Modified
13 May 2021