Myricanone (CHEBI:141540)

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ChEBI Name	Myricanone

ChEBI ID	CHEBI:141540

Definition	A cyclic ketone isolated from the bark of Morella species and has been shown to exhibit cytotoxic activity against cancer cells.

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

Submitter	Mark Williams

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Formula

C21H24O5

Net Charge

Average Mass

356.413

Monoisotopic Mass

356.16237

InChI

InChI=1S/C21H24O5/c1-25-20-17-12-14(19(24)21(20)26-2)5-3-4-6-15(22)9-7-13-8-10-18(23)16(17)11-13/h8,10-12,23-24H,3-7,9H2,1-2H3

InChIKey

ZTSNTUQTNQSIDC-UHFFFAOYSA-N

SMILES

O(C1=C2C=C(CCCCC(=O)CCC3=CC2=C(O)C=C3)C(O)=C1OC)C

Metabolite of Species	Details
Myrica adenophora (IPNI:585476-1)	Found in root (BTO:0001188). See: PubMed
Myrica nana (IPNI:585572-1)	Found in root (BTO:0001188). See: Yu, Y.F., Lu, Q., Guo, L., Mei, R.Q., Liang, H.X., Luo, D.Q. and Cheng, Y.X. (2007) Myricananone and myricananadiol: two new cyclic diarylheptanoids from the Roots of Myrica nana. Helv. Chim. Acta, 90(9), 1691-1696.
Morella rubra (NCBI:txid262757)	Found in bark (BTO:0001301). See: PubMed
Morella rubra (NCBI:txid262757)	Found in bark (BTO:0001301). See: PubMed
Morella cerifera (NCBI:txid3510)	Found in bark (BTO:0001301). See: PubMed
Morella esculenta (NCBI:txid385002)	Found in bark (BTO:0001301). See: Sun, D., Zhao, Z., Wong, H. and Foo L.Y. (1988) Tannins and other phenolics from Myrica esculenta bark. Phytochemistry, 27(2), 579-583.
Morella salicifolia (NCBI:txid385014)	Found in bark (BTO:0001301). See: PubMed

Roles Classification
Biological Role(s):	plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. (via diarylheptanoid )

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

ChEBI Ontology
Outgoing	Myricanone (CHEBI:141540) has role antineoplastic agent (CHEBI:35610) Myricanone (CHEBI:141540) has role plant metabolite (CHEBI:76924) Myricanone (CHEBI:141540) is a aromatic ether (CHEBI:35618) Myricanone (CHEBI:141540) is a cyclic ketone (CHEBI:3992) Myricanone (CHEBI:141540) is a diarylheptanoid (CHEBI:78802) Myricanone (CHEBI:141540) is a methoxybenzenes (CHEBI:51683) Myricanone (CHEBI:141540) is a phenols (CHEBI:33853)

Last Modified

05 October 2018