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CHEBI:65369 - acumitin

ChEBI IDCHEBI:65369
ChEBI Nameacumitin
Stars
DefinitionA member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1 and 3, a 2-hydroxybenzyl group at position 2 and a 3-phenylpropanoyl group at position 4. It is isolated from the roots of Uvaria acuminata and exhibits potent cytotoxicity against human promyelocytic leukemia HL-60 cells.
Last Modified1 March 2013
DownloadsMolfile
FormulaC29H22O6
Net Charge0
Average Mass466.489
Monoisotopic Mass466.14164
SMILESO=C(CCc1ccccc1)c1c(O)c(Cc2ccccc2O)c(O)c2c(=O)c3ccccc3oc12
InChIInChI=1S/C29H22O6/c30-21-12-6-4-10-18(21)16-20-27(33)24(22(31)15-14-17-8-2-1-3-9-17)29-25(28(20)34)26(32)19-11-5-7-13-23(19)35-29/h1-13,30,33-34H,14-16H2
InChIKeyNIFSYUFGZVWGGD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Uvaria acuminata (ncbitaxon:672960) root (BTO:0001188) PubMed (14709883)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
acumitin (CHEBI:65369) has role antineoplastic agent (CHEBI:35610)
acumitin (CHEBI:65369) has role metabolite (CHEBI:25212)
acumitin (CHEBI:65369) is a dihydrochalcones (CHEBI:71230)
acumitin (CHEBI:65369) is a phenols (CHEBI:33853)
acumitin (CHEBI:65369) is a xanthones (CHEBI:51149)
IUPAC Name 
1,3-dihydroxy-2-(2-hydroxybenzyl)-4-(3-phenylpropanoyl)-9H-xanthen-9-one
Registry NumbersSources
Reaxys:9740342Reaxys
Citations