Results for:
PubChem ID: 5281520

(1E,4E,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene

Mass-Spectra

Compound Details

Synonymous names	Humulene alpha-Humulene ALPHA-CARYOPHYLLENE 6753-98-6 3,7,10-Humulatriene .alpha.-Caryophyllene a-humulene alpha -humulene (1E,4E,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene 1,4,8-Cycloundecatriene, 2,6,6,9-tetramethyl-, (E,E,E)- .alpha.-Humulene EINECS 229-816-7 UNII-54W56MD2WD (1E,4E,8E)-alpha-humulene BRN 3240075 54W56MD2WD CHEBI:5768 2,6,6,9-Tetramethyl-1,4,8-cycloundecatriene (E,E,E)- HUMULENE, ALPHA- (1E,4E,8E)-2,6,6,9-tetramethyl-1,4,8-cycloundecatriene (1E,4E,8E)-humula-1(11),4,8-triene 4-05-00-01171 (Beilstein Handbook Reference) MFCD00042689 (E,E,E)-2,6,6,9-tetramethyl-1,4,8-cycloundecatriene 1,4,8-Cycloundecatriene, 2,6,6,9-tetramethyl-, (1E,4E,8E)- 2,6,6,9-Tetramethyl-1,4,8-cycloundecatriene Alpha-humulene alpha-humulene (1E,4E,8E)-2,6,6,9-Tetramethyl-1,4-8-cycloundecatriene trans,trans,trans-2,6,6,9-Tetramethyl-1,4,8-cycloundecatriene 2,6,6,9-tetramethyl-cycloundeca-1,4,8-triene Humulen alpha-Humalene Alpha-humulol Caryophyllene: Hemp Weed alpha -humulen -Humulene alpha -humulenen Alpha caryophyllene CANNABIS HUMULENE [MI] Humulene; -Caryophyllene a-Caryophyllene (obsol.) minyak fraksi daun cengkeh (+/-)-alpha-HUMULENE CHEMBL251280 CHEBI:49289 GTPL13236 DTXSID30858793 Alpha-caryophylla-2,8(14)-diene alpha-Humulene, analytical standard (+/-)-.ALPHA.-HUMULENE HY-N6968 alpha-Humulene, >=96.0% (GC) AKOS015965488 alpha -humulene (alpha -caryophyllene) LMPR0103110001 AS-35296 CS-0031813 NS00020870 C09684 Cycloundeca-1,4,8-triene,2,6,6,9-tetramethyl- Q1995108 2,6,6,9-Tetramethyl-(E,E,E)-1,4,8-Cycloundecatriene 2,6,6,9-Tetramethyl-(1E,4E,8E)-1,4,8-Cycloundecatriene Cycloundeca-1,4,8-triene,2,6,6,9-tetramethyl-, (E,E,E)- 2,6,6,9-Tetramethyl-1,4,8-cycloundecatriene-, (1E,4E,8E)- V8Z
Microorganism:	Yes
IUPAC name	(1E,4E,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene
SMILES	CC1=CCC(C=CCC(=CCC1)C)(C)C
Inchi	InChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6-7,10-11H,5,8-9,12H2,1-4H3/b11-6+,13-7+,14-10+
Formula	C15H24
PubChem ID	5281520
Molweight	204.35
LogP	4.5
Atoms	15
Bonds	0
H-bond Acceptor	0
H-bond Donor	0
Chemical Classification	terpenes
CHEBI-ID	5768
Supernatural-ID	SN0080486-02

mVOC Specific Details

Boiling Point	Degree Reference 99 median
MS-Links	MS-MS Spectrum 110246 MS-MS Spectrum 177872 MS-MS Spectrum 110245 MS-MS Spectrum 177870 MS-MS Spectrum 177871 MS-MS Spectrum 110244
Massbank-Links	Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP002840 Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP007579

Species emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Prokaryota Staphylococcus Aureus NA Karami et al. 2017 Eukaryota Hypoxylon Anthochroum na endophytic in Bursera lancifolia Ulloa-Benítez et al. 2016 Eukaryota Phoma Sp. n/a NA Strobel et al. 2011 Eukaryota Fusarium Oxysporum the results led us to propose a possible new direct long-distance mechanism of action for WT antagonistic F. oxysporum that is mediated by vocs NA Minerdi et al. 2009 Eukaryota Laccaria Bicolor n/a NA Mueller et al. 2013 Eukaryota Paxillus Involutus n/a NA Mueller et al. 2013 Eukaryota Armillaria Mellea n/a NA Mueller et al. 2013 Eukaryota Pholiota Squarrosa n/a NA Mueller et al. 2013 Eukaryota Fusarium Oxysporum long-distance antagonistic action NA Minerdi et al. 2009 Eukaryota Antrodia Cinnamomea na na Lu et al. 2014 Prokaryota Lentilactobacillus Buchneri NA NA Squara et al. 2022 Prokaryota Lacticaseibacillus Paracasei NA NA Squara et al. 2022 Kluyveromyces Marxianus Ji et al. 2024 Saccharomyces Cerevisiae Ji et al. 2024

Method

Kingdom Species Growth Medium Applied Method Verification Prokaryota Staphylococcus Aureus Mueller Hinton broth (MB), tryptic soy broth (TSB) SPME, DVB/CAR/PDMS, GC-MS no Eukaryota Hypoxylon Anthochroum PDA/WA + 500 mg l^-1 Chloramphenicol SPME-GC/MS no Eukaryota Phoma Sp. n/a Solid phase microextraction (SPME) no Eukaryota Fusarium Oxysporum complete medium (CM) SPME/GC-MS no Eukaryota Laccaria Bicolor Melin-Nor krans synthetic medium (modified) Headspace trapping ( using stir bar sorptive extraction )/ GC-MS no Eukaryota Paxillus Involutus Melin-Nor krans synthetic medium (modified) Headspace trapping ( using stir bar sorptive extraction )/ GC-MS no Eukaryota Armillaria Mellea Melin-Nor krans synthetic medium (modified) Headspace trapping ( using stir bar sorptive extraction )/ GC-MS no Eukaryota Pholiota Squarrosa Melin-Nor krans synthetic medium (modified) Headspace trapping ( using stir bar sorptive extraction )/ GC-MS no Eukaryota Fusarium Oxysporum PDA/CM CAR/PDMS GCMS yes Eukaryota Antrodia Cinnamomea PDA GC/MS yes Prokaryota Lentilactobacillus Buchneri maize silage HS-SPME coupled with GC-TOF MS no Prokaryota Lacticaseibacillus Paracasei maize silage HS-SPME coupled with GC-TOF MS no Kluyveromyces Marxianus Sauce Meat during Storage SPME–GC–MS no Saccharomyces Cerevisiae Sauce Meat during Storage SPME–GC–MS no