Results for:
chemical Classification: coumarins

7-[(2E)-3,7-dimethylocta-2,6-dienoxy]chromen-2-one

Mass-Spectra

Compound Details

Synonymous names	Auraptene Aurapten RSDDHGSKLOSQFK-RVDMUPIBSA-N 7-Geranyloxycoumarin 7-O-geranylumbelliferone AC1LT3MK NP344 F79I1ZEL2E UPCMLD-DP061 UNII-F79I1ZEL2E W1305 CHEMBL307341 CCRIS 8835 SPECTRUM1505176 HMS2270C13 Bio-0625 NSC711511 SCHEMBL2535029 SCHEMBL2535034 LP001357 STL457597 LP089607 CHEBI:93486 ZINC1658901 4CN-1163 CJ-26819 BDBM50361373 CHEBI:134355 ZINC01658901 CCG-208550 NSC-711511 MEGxp0_000091 Auraptene, >=98% (HPLC) AKOS015969736 ACon1_000071 UPCMLD-DP061:001 MLS001049098 SMR000386931 Coumarin, 7-(geranyloxy)- FT-0621413 495-02-3 MCULE-3823939164 NCGC00096070-01 NCGC00096070-03 NCGC00096070-04 NCGC00096070-05 NCGC00168822-01 29527-66-0 MolPort-001-740-270 7-(3,7-Dimethyl-octa-2,6-dienyloxy)-chromen-2-one 7-[(2E)-3,7-dimethylocta-2,6-dienoxy]chromen-2-one Coumarin, 7-[(3,7-dimethyl-2,6-octadienyl)oxy]-, (E)- 7-{[(2E)-3,7-dimethyl-2,6-octadienyl]oxy}-2H-chromen-2-one 7-([(2E)-3,7-Dimethyl-2,6-octadienyl]oxy)-2H-chromen-2-one # (E)-7-((3,7-Dimethylocta-2,6-dien-1-yl)oxy)-2H-chromen-2-one 7-{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-2H-chromen-2-one 7-{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-2H-1-benzopyran-2-one 7-[[(2E)-3,7-dimethyl-2,6-octadien-1-yl]oxy]-2H-1-benzopyran-2-one 2H-1-Benzopyran-2-one,7-[[(2E)-3,7-dimethyl-2,6-octadien-1-yl]oxy]- 2H-1-Benzopyran-2-one, 7-[(3,7-dimethyl-2,6-octadienyl)oxy]-, (E)- 2H-1-Benzopyran-2-one, 7-((3,7-dimethyl-2,6-octadienyl)oxy)-, (E)- 2H-1-Benzopyran-2-one, 7-[[(2E)-3,7-dimethyl-2,6-octadien-1-yl]oxy]-
Microorganism:	Yes
IUPAC name	7-[(2E)-3,7-dimethylocta-2,6-dienoxy]chromen-2-one
SMILES	CC(=CCCC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)C)C
Inchi	InChI=1S/C19H22O3/c1-14(2)5-4-6-15(3)11-12-21-17-9-7-16-8-10-19(20)22-18(16)13-17/h5,7-11,13H,4,6,12H2,1-3H3/b15-11+
Formula	C19H22O3
PubChem ID	1550607
Molweight	298.382
LogP	4.65
Atoms	44
Bonds	45
H-bond Acceptor	2
H-bond Donor	0
Chemical Classification	terpenes coumarins lactones ethers benzenoids pyrones

mVOC Specific Details

MS-Links

MS-MS Spectrum 176501 MS-MS Spectrum 109111 MS-MS Spectrum 109110 MS-MS Spectrum 239214 MS-MS Spectrum 176499 MS-MS Spectrum 176500 MS-MS Spectrum 239215 MS-MS Spectrum 109112

Microorganisms emitting the compound	Kingdom Species Biological Function Origin/Habitat Reference Fungi Tuber Simonea March et al., 2006 Fungi Tuber Simonea n/a Ayme Truffe of Grignan, 26230 France March et al., 2006
Method	Kingdom Species Growth Medium Applied Method Verification Fungi Tuber Simonea Pressure balanced head-space sampling and GC/TOF-MS No Fungi Tuber Simonea n/a Pressure balanced head-space sampling and GC/TOF-MS