Results for:
PubChem ID: 6918391

(1S,2S,4R)-1-ethenyl-1-methyl-2,4-bis(prop-1-en-2-yl)cyclohexane

Compound Details

Synonymous names	OPFTUNCRGUEPRZ-QLFBSQMISA-N AC1OCFDE beta-Elemen BETA-ELEMENE Levo-beta-elemene 2QG8CX6LXD UNII-2QG8CX6LXD 8064AH SDP-111 CHEMBL448502 C17094 CHEBI:62855 ZINC14096289 E- .beta.-Elemene 2,4-Diisopropenyl-1-methyl-1-vinylcyclohexane (-)-beta-Elemene Epitope ID:153551 AKOS028108977 (-)-beta-Elemene, analytical standard 515-13-9 beta-Elemene, (-)- 33880-83-0 20296-36-0 11033-44-6 154028-29-2 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-cyclohexane (1S,2S,4R)-2,4-diisopropenyl-1-methyl-1-vinylcyclohexane (1S,2S,4R)-(-)-1-methyl-1-vinyl-2,4-diisopropenylcyclohexane Cyclohexane, 2,4-diisopropenyl-1-methyl-1-vinyl-, (1S,2S,4R)- (1S,2S,4R)-1-ethenyl-1-methyl-2,4-bis(prop-1-en-2-yl)cyclohexane (1S,2S,4R)-1-ethenyl-1-methyl-2,4-di(prop-1-en-2-yl)cyclohexane (1S,2S,4R)-1-methyl-2,4-di(prop-1-en-2-yl)-1-vinylcyclohexane Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, (1S,2S,4R)- Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, (1S-(1-alpha,2-beta,4-beta))-
Microorganism:	Yes
IUPAC name	(1S,2S,4R)-1-ethenyl-1-methyl-2,4-bis(prop-1-en-2-yl)cyclohexane
SMILES	CC(=C)C1CCC(C(C1)C(=C)C)(C)C=C
Inchi	InChI=1S/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,13-14H,1-2,4,8-10H2,3,5-6H3/t13-,14+,15-/m1/s1
Formula	C15H24
PubChem ID	6918391
Molweight	204.357
LogP	4.74
Atoms	39
Bonds	39
H-bond Acceptor	0
H-bond Donor	0
Chemical Classification	Terpenes Alkenes

mVOC Specific Details

MS-Links

MS-MS Spectrum 150954 MS-MS Spectrum 150956 MS-MS Spectrum 88262 MS-MS Spectrum 88260 MS-MS Spectrum 150955 MS-MS Spectrum 88261

Microorganisms emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Fungi Hypoxylon Antochroum Blaci na endophytic in Bursera lancifolia Ulloa-Benítez et al., 2016 Fungi Trichoderma Atroviride Crutcher et al., 2013 Fungi Trichoderma Reesei Crutcher et al., 2013 Fungi Trichoderma Virens Crutcher et al., 2013 Fungi Laccaria Bicolor S238N na na Ditengou et al., 2015 Fungi Piptoporus Betulinus na Sachsenwald near Hamburg Rösecke et al., 2000 Fungi Armillaria Mellea n/a Mueller et al., 2013 Fungi Laccaria Bicolor n/a Mueller et al., 2013 Fungi Paxillus Involutus MAJ n/a Mueller et al., 2013 Fungi Paxillus Involutus NAU n/a Mueller et al., 2013 Fungi Pholiota Squarrosa n/a Mueller et al., 2013 Fungi Aspergillus Ustus na water damaged buildings, Belgium Polizzi et al., 2012 Fungi Penicillium Decumbens na water damaged buildings, Belgium Polizzi et al., 2012 Fungi Periconia Britannica na water damaged buildings, Belgium Polizzi et al., 2012 Bacteria Streptomyces Citreus n/a Schulz and Dickschat, 2007 Fungi Aspergillus Ustus Polizzi et al., 2012 Fungi Periconia Britannica Polizzi et al., 2012 Fungi Penicillium Roqueforti (IBT 16404) n/a obtained fronm department of Biotechnology , Denmark Technical Universität at Copenhagen Jelen, 2003 Fungi Alternaria Alternata(Fr.)Keissler (DSMZ 62006) Coculture With Fusarium Oxysporum F. Aechmeae(Fr.)Schltdl. (DSMZ 62297) DSMZ Weikl et al. 2019

Method

Kingdom Species Growth Medium Applied Method Verification Fungi Hypoxylon Antochroum Blaci PDA/WA + 500 mg l^-1 Chloramphenicol SPME-GC/MS No Fungi Trichoderma Atroviride Potato dextrose agar HS-SPME/GC-MS no Fungi Trichoderma Reesei Potato dextrose agar HS-SPME/GC-MS no Fungi Trichoderma Virens Potato dextrose agar HS-SPME/GC-MS no Fungi Laccaria Bicolor S238N modified Pachlewski medium capillary gas chromatography, GC/MS Yes Fungi Piptoporus Betulinus na GC/MS No Fungi Armillaria Mellea Melin-Nor krans synthetic medium (modified) Headspace trapping ( using stir bar sorptive extraction )/ GC-MS Fungi Laccaria Bicolor Melin-Nor krans synthetic medium (modified) Headspace trapping ( using stir bar sorptive extraction )/ GC-MS Fungi Paxillus Involutus MAJ Melin-Nor krans synthetic medium (modified) Headspace trapping ( using stir bar sorptive extraction )/ GC-MS Fungi Paxillus Involutus NAU Melin-Nor krans synthetic medium (modified) Headspace trapping ( using stir bar sorptive extraction )/ GC-MS Fungi Pholiota Squarrosa Melin-Nor krans synthetic medium (modified) Headspace trapping ( using stir bar sorptive extraction )/ GC-MS Fungi Aspergillus Ustus malt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agar SPME-GC/MS No Fungi Penicillium Decumbens malt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agar SPME-GC/MS No Fungi Periconia Britannica malt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agar SPME-GC/MS No Bacteria Streptomyces Citreus n/a n/a Fungi Aspergillus Ustus malt extract agar (MEA), wallpaper, plasterboard SPME/GC-MS Fungi Periconia Britannica malt extract agar (MEA), wallpaper, plasterboard SPME/GC-MS Fungi Penicillium Roqueforti (IBT 16404) wheat kernel medium incubated at 20°C for 14 days, isolation by SPME with different fibres Fungi Alternaria Alternata(Fr.)Keissler (DSMZ 62006) Coculture With Fusarium Oxysporum F. Aechmeae(Fr.)Schltdl. (DSMZ 62297) malt extract agar SBSE-GC-MS no