pyranojacareubin (CHEBI:66302)

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ChEBI Name	pyranojacareubin

ChEBI ID	CHEBI:66302

Definition	An organic heteropentacyclic compound that is 2H,6H,10H-dipyrano[3,2-b:2',3'-i]xanthene substituted by hydroxy groups at positions 5 and 12, geminal methyl groups at positions 2 and 10 and an oxo group at position 6. Isolated from Calophyllum blancoi it exhibits antiviral activity.

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

Supplier Information

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Formula

C23H20O6

Net Charge

Average Mass

392.40130

Monoisotopic Mass

392.12599

InChI

InChI=1S/C23H20O6/c1-22(2)8-6-12-14(28-22)10-15-16(17(12)24)18(25)13-9-11-5-7-23(3,4)29-20(11)19(26)21(13)27-15/h5-10,24,26H,1-4H3

InChIKey

ZMJXZBDITYZMTK-UHFFFAOYSA-N

SMILES

CC1(C)Oc2cc3oc4c(O)c5OC(C)(C)C=Cc5cc4c(=O)c3c(O)c2C=C1

Metabolite of Species	Details
Garcinia densivenia (IPNI:427919-1)	Found in stem (BTO:0001300). Previous component: stem bark; See: DOI
Rheedia gardneriana (NCBI:txid469955)	Found in root (BTO:0001188). See: DOI
Calophyllum blancoi (NCBI:txid667324)	Found in root (BTO:0001188). See: PubMed

Roles Classification
Biological Role(s):	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. antiviral agent A substance that destroys or inhibits replication of viruses.

ChEBI Ontology
Outgoing	pyranojacareubin (CHEBI:66302) has role antiviral agent (CHEBI:22587) pyranojacareubin (CHEBI:66302) has role metabolite (CHEBI:25212) pyranojacareubin (CHEBI:66302) is a cyclic ether (CHEBI:37407) pyranojacareubin (CHEBI:66302) is a cyclic ketone (CHEBI:3992) pyranojacareubin (CHEBI:66302) is a organic heteropentacyclic compound (CHEBI:38164) pyranojacareubin (CHEBI:66302) is a polyphenol (CHEBI:26195)

IUPAC Name

5,12-dihydroxy-2,2,10,10-tetramethyl-2H,6H,10H-dipyrano[3,2-b:2',3'-i]xanthen-6-one

Registry Number	Type	Source
6352609	Reaxys Registry Number	Reaxys

Last Modified

22 April 2013