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(Q81988176)
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English
4,4,8-Trimethyltricyclo(6.3.1.02,5)dodecan-1-ol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
caryophyllene alcohol
1 reference
based on heuristic
inferred from SMILES
mass
222.198365452
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(1R,2R,5S,8S)-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecan-1-ol
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(+)-β-caryophyllene alcohol
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₆O
0 references
canonical SMILES
OC12CCCC(C)(CCC3C1CC3(C)C)C2
0 references
isomeric SMILES
C[C@@]12CCC[C@@](C1)([C@H]3CC([C@@H]3CC2)(C)C)O
0 references
found in taxon
Humulus lupulus
1 reference
stated in
Characterization of tricyclic sesquiterpenes in hop (Humulus lupulus var. Hersbrucker Spaet)
Bazzania japonica
1 reference
stated in
Sesquiterpene constituents from the liverwort Bazzania japonica
Streptomyces albolongus
1 reference
stated in
Bafilomycins and Odoriferous Sesquiterpenoids from Streptomyces albolongus Isolated from Elephas maximus Feces
Corymbia citriodora
1 reference
stated in
Airborne antituberculosis activity of Eucalyptus citriodora essential oil.
Identifiers
InChI
InChI=1S/C15H26O/c1-13(2)9-12-11(13)5-8-14(3)6-4-7-15(12,16)10-14/h11-12,16H,4-10H2,1-3H3/t11-,12+,14+,15-/m1/s1
0 references
InChIKey
FUQAYSQLAOJBBC-PAPYEOQZSA-N
0 references
CAS Registry Number
472-97-9
0 references
PubChem CID
11746218
1 reference
matched by identifier from
InChIKey
InChIKey
FUQAYSQLAOJBBC-PAPYEOQZSA-N
SureChEMBL ID
SCHEMBL15262040
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
FUQAYSQLAOJBBC-PAPYEOQZSA-N
UniChem compound ID
27307652
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60904378
0 references
DTXSID501033247
1 reference
matched by identifier from
InChIKey
InChIKey
FUQAYSQLAOJBBC-PAPYEOQZSA-N
DSSTOX compound identifier
DTXCID001333537
0 references
Human Metabolome Database ID
HMDB0303898
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
FUQAYSQLAOJBBC-PAPYEOQZSA-N
KNApSAcK ID
C00062238
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
FUQAYSQLAOJBBC-PAPYEOQZSA-N
UNII
2192AHI681
1 reference
matched by identifier from
InChIKey
InChIKey
FUQAYSQLAOJBBC-PAPYEOQZSA-N
9Y50O7OH2E
1 reference
matched by identifier from
InChIKey
InChIKey
FUQAYSQLAOJBBC-PAPYEOQZSA-N
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