cratoxyarborenone D (CHEBI:65674)

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ChEBI Name	cratoxyarborenone D

ChEBI ID	CHEBI:65674

Definition	An organic heterotetracyclic compound that is 2,3-dihydro-5H-furo[3,2-b]xanthen-5-one substituted by hydroxy groups at positions 4, 7, 8 and 9, an isoprenyl group at position 6 and a prop-1-en-2-yl group at position 2. It is isolated from Cratoxylum Sumatranum and exhibits cytotoxicity towards the KB (human oral epidermoid) cancer cell line.

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

Supplier Information

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Formula

C23H22O7

Net Charge

Average Mass

410.41660

Monoisotopic Mass

410.13655

InChI

InChI=1S/C23H22O7/c1-9(2)5-6-11-16-20(26)17-15(30-23(16)22(28)21(27)19(11)25)8-14-12(18(17)24)7-13(29-14)10(3)4/h5,8,13,24-25,27-28H,3,6-7H2,1-2,4H3

InChIKey

PIPKOMCOCGAXLZ-UHFFFAOYSA-N

SMILES

CC(C)=CCc1c(O)c(O)c(O)c2oc3cc4OC(Cc4c(O)c3c(=O)c12)C(C)=C

Metabolite of Species	Details
Cratoxylum Sumatranum (IPNI:433074-1)	Found in leaf (BTO:0000713). See: PubMed
Cratoxylum Sumatranum (IPNI:433074-1)	Found in twig (BTO:0001411). See: PubMed
Cratoxylum Sumatranum (IPNI:433074-1)	Found in stem (BTO:0001300). Previous component: stem bark; 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.

Application(s):	antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology
Outgoing	cratoxyarborenone D (CHEBI:65674) has role antineoplastic agent (CHEBI:35610) cratoxyarborenone D (CHEBI:65674) has role metabolite (CHEBI:25212) cratoxyarborenone D (CHEBI:65674) is a cyclic ether (CHEBI:37407) cratoxyarborenone D (CHEBI:65674) is a cyclic ketone (CHEBI:3992) cratoxyarborenone D (CHEBI:65674) is a organic heterotetracyclic compound (CHEBI:38163) cratoxyarborenone D (CHEBI:65674) is a polyphenol (CHEBI:26195)

IUPAC Name

4,7,8,9-tetrahydroxy-6-(3-methylbut-2-en-1-yl)-2-(prop-1-en-2-yl)-2,3-dihydro-5H-furo[3,2-b]xanthen-5-one

Synonym	Source
2,3-dihydro-1,5,6,7-tetrahydroxy-3-(1-methyethenyl)-8-prenylfuro[2,3-b]xanthone	ChEBI

Registry Number	Type	Source
9098517	Reaxys Registry Number	Reaxys

Citation	Type	Source
11908969	PubMed citation	Europe PMC

Last Modified

17 February 2015