Results for:
chemical Classification: sesquiterpene

3,5,5-trimethyl-9-methylidene-2,4a,6,7,8,9a-hexahydro-1H-benzo[7]annulene

Mass-Spectra

Compound Details

Synonymous names
alpha-Himachalene
ZJSIKVDEOWWVEH-UHFFFAOYSA-N
AC1LAUV0
.alpha.-Himachalene
OR126317
CHEBI:49214
2,7(14)-Himachaladiene
3,5,5-trimethyl-9-methylidene-2,4a,6,7,8,9a-hexahydro-1H-benzo[7]annulene
3,5,5-Trimethyl-9-methylene-2,4a,5,6,7,8,9,9a-octahydro-1H-benzo[a]cycloheptene #
3,5,5-trimethyl-9-methylidene-2,4a,5,6,7,8,9,9a-octahydro-1H-benzo[7]annulene
3,5,5-trimethyl-9-methylene-2,4a,5,6,7,8,9,9a-octahydro-1H-benzo[7]annulene
1H-Benzocycloheptene, 2,4a,5,6,7,8,9,9a-octahydro-3,5,5-trimethyl-9-methylene-, cis-
1H-Benzocycloheptene, 2,4a.alpha.,5,6,7,8,9,9a.alpha.-octahydro-3,5,5-trimethyl-9-methylene-
1H-Benzocycloheptene, 2,4a,5,6,7,8,9,9a-octahydro-3,5,5-trimethyl-9-methylene-, (4aS-cis)-
IUPAC name3,5,5-trimethyl-9-methylidene-2,4a,6,7,8,9a-hexahydro-1H-benzo[7]annulene
SMILESCC1=CC2C(CC1)C(=C)CCCC2(C)C
InchiInChI=1S/C15H24/c1-11-7-8-13-12(2)6-5-9-15(3,4)14(13)10-11/h10,13-14H,2,5-9H2,1,3-4H3
FormulaC15H24
PubChem ID520909
Molweight204.357
LogP4.52
Atoms39
Bonds40
H-bond Acceptor0
H-bond Donor0
Chemical Classificationterpenes sesquiterpene

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiPhoma Sp.n/aStrobel et al., 2014
FungiAlternaria Alternata(Fr.)Keissler (DSMZ 62006) Coculture With Fusarium Oxysporum F. Aechmeae(Fr.)Schltdl. (DSMZ 62297)DSMZWeikl et al. 2026
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiPhoma Sp.n/aSolid phase microextraction (SPME)
FungiAlternaria Alternata(Fr.)Keissler (DSMZ 62006) Coculture With Fusarium Oxysporum F. Aechmeae(Fr.)Schltdl. (DSMZ 62297)malt extract agarSBSE-GC-MSno


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

Mass-Spectra

Compound Details

Synonymous names
ALPHA-CARYOPHYLLENE
Humulene
FAMPSKZZVDUYOS-HRGUGZIWSA-N
alpha-Humulene
alpha-Humalene
AC1NQYKM
alpha-Humulene, analytical standard
.alpha.-Caryophyllene
.alpha.-Humulene
6292AF
54W56MD2WD
CHEMBL251280
UNII-54W56MD2WD
CHEBI:5768
C09684
OR325391
OR031368
LS-58866
DTXSID30858793
ZINC30726967
3,7,10-Humulatriene
MFCD00042689
AKOS015965488
BRN 3240075
FT-0622161
LMPR0103110001
(1E,4E,8E)-alpha-humulene
6753-98-6
EINECS 229-816-7
65907-25-7
19132-75-3
alpha-Humulene, >=96.0% (GC)
2,6,6,9-Tetramethyl-1,4,8-cycloundecatriene
2,6,6,9-tetramethyl-cycloundeca-1,4,8-triene
trans,trans,trans-2,6,6,9-Tetramethyl-1,4,8-cycloundecatriene
4-05-00-01171 (Beilstein Handbook Reference)
(E,E,E)-2,6,6,9-tetramethyl-1,4,8-cycloundecatriene
(1E,4E,8E)-humula-1(11),4,8-triene
2,6,6,9-Tetramethyl-1,4,8-cycloundecatriene (E,E,E)-
(1E,4E,8E)-2,6,6,9-tetramethyl-1,4,8-cycloundecatriene
(1E,4E,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene
1,4,8-Cycloundecatriene, 2,6,6,9-tetramethyl-, (E,E,E)-
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)-
1,4,8-Cycloundecatriene, 2,6,6,9-tetramethyl-, (1E,4E,8E)-
IUPAC name(1E,4E,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene
SMILESCC1=CCC(C=CCC(=CCC1)C)(C)C
InchiInChI=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+
FormulaC15H24
PubChem ID5281520
Molweight204.357
LogP4.88
Atoms39
Bonds39
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationTerpenes sesquiterpene

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiHypoxylon Antochroum Blacinaendophytic in Bursera lancifoliaUlloa-Benítez et al., 2016
FungiFusarium Oxysporum MSA 35the results led us to propose a possible new direct long-distance mechanism of action for WT antagonistic F. oxysporum that is mediated by vocsMinerdi et al., 2009
FungiPhoma Sp.n/aStrobel et al., 2014
FungiArmillaria Mellean/aMueller et al., 2013
FungiLaccaria Bicolorn/aMueller et al., 2013
FungiPaxillus Involutus MAJn/aMueller et al., 2013
FungiPaxillus Involutus NAUn/aMueller et al., 2013
FungiPholiota Squarrosan/aMueller et al., 2013
FungiFusarium Oxysporum MSA 35long-distance antagonistic actionMinerdi et al. 2009
FungiAntrodia Cinnamomea ATCC 200183nanaLu et al., 2014
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiHypoxylon Antochroum BlaciPDA/WA + 500 mg l^-1 ChloramphenicolSPME-GC/MSNo
FungiFusarium Oxysporum MSA 35complete medium (CM)SPME/GC-MS
FungiPhoma Sp.n/aSolid phase microextraction (SPME)
FungiArmillaria MelleaMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiLaccaria BicolorMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiPaxillus Involutus MAJMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiPaxillus Involutus NAUMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiPholiota SquarrosaMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiFusarium Oxysporum MSA 35PDA/CMCAR/PDMS GCMSyes
FungiAntrodia Cinnamomea ATCC 200183PDAGC/MSYes