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CHEBI:152054 - nataloe-emodin

ChEBI IDCHEBI:152054
ChEBI Namenataloe-emodin
Stars
DefinitionA trihydroxyanthraquinone that is 9,10-anthraquinone which is substituted by hydroxy groups at positions 1, 2, and 8 and by a methyl group at position 6. It is isolated from the leaves of Picramnia sellowii and Picramnia latifolia plants.
Last Modified3 June 2020
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC15H10O5
Net Charge0
Average Mass270.240
Monoisotopic Mass270.05282
SMILESCc1cc(O)c2c(c1)C(=O)c1ccc(O)c(O)c1C2=O
InChIInChI=1S/C15H10O5/c1-6-4-8-11(10(17)5-6)15(20)12-7(13(8)18)2-3-9(16)14(12)19/h2-5,16-17,19H,1H3
InChIKeyWLOSKKPZIOUGFB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Picramnia latifolia (ncbitaxon:681474) leaf (BTO:0000713) PubMed (15043409)
Picramnia sellowii (ncbitaxon:2686319) leaf (BTO:0000713) PubMed (18163590)
Roles Classification
Biological Roles:
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
nataloe-emodin (CHEBI:152054) has role antibacterial agent (CHEBI:33282)
nataloe-emodin (CHEBI:152054) has role antineoplastic agent (CHEBI:35610)
nataloe-emodin (CHEBI:152054) has role plant metabolite (CHEBI:76924)
nataloe-emodin (CHEBI:152054) is a trihydroxyanthraquinone (CHEBI:37488)
nataloe-emodin (CHEBI:152054) is conjugate acid of nataloe-emodin(1−) (CHEBI:152055)
Incoming Relation(s)
cladofulvin (CHEBI:152056) has functional parent nataloe-emodin (CHEBI:152054)
nataloe-emodin(1−) (CHEBI:152055) is conjugate base of nataloe-emodin (CHEBI:152054)
IUPAC Name 
1,2,8-trihydroxy-6-methylanthracene-9,10-dione
Synonyms  Source
1,2,8-trihydroxy-6-methylanthra-9,10-quinoneSUBMITTER
nataloe emodinChEBI
1,2,8-trihydroxy-6-methyl-9,10-anthraquinoneChEBI
1,2,8-trihydroxy-6-methylanthraquinoneChEBI
Registry NumbersSources
CAS:478-46-6ChEBI
Citations