Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	67873
Common Name:	Honokiol
Systematic Name:	4-allyl-2-(3-allyl-4-hydroxy-phenyl)phenol
Synonyms:	3,5'-Diallyl-4,2'-dihydroxybiphenyl; 5,3'-Diallyl-2,4'-dihydroxybiphenyl; NSC 293100; 5,3′ -Diallyl-2,4′ -dihydroxydiphenyl [PubChem Synonyms]
Exact Mass:	266.1307 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C18H18O2
InChIKey:	FVYXIJYOAGAUQK-UHFFFAOYSA-N
ClassyFire superclass:	Benzenoids [C0002448]
ClassyFire class:	Benzene and substituted derivatives [C0002279]
ClassyFire subclass:	Biphenyls and derivatives [C0000041]
ClassyFire direct parent:	Biphenyls and derivatives [C0000041]
MoNA MS spectra:	View MS spectra
SMILES:	C=CCc1ccc(c(c1)c1ccc(c(CC=C)c1)O)O
Studies:	-

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	72303
HMDB ID:	HMDB0253212
KEGG ID:	C10630
EPA CompTox DB:	DTXCID90111336
Plant Metabolite Hub(Pmhub):	MS000008547

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y