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(Q76386786)
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Valerenal
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
3-(3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl)-2-methylprop-2-enal
1 reference
based on heuristic
inferred from SMILES
mass
218.167065324
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(E)-3-[(4S,7S,7aR)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enal
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₂O
0 references
canonical SMILES
O=CC(=CC1C2=C(C)CCC2C(C)CC1)C
0 references
isomeric SMILES
C[C@@H]1CC[C@H](C2=C(CC[C@H]12)C)/C=C(\C)/C=O
0 references
found in taxon
Valeriana officinalis
9 references
stated in
GABA A receptors as in vivo substrate for the anxiolytic action of valerenic acid, a major constituent of valerian root extracts
stated in
The biological activity of Valerian and related plants
stated in
A structure of faurinone, a sesquiterpene ketone isolated from valeriana officinalis
stated in
Isolation and identification of valerenane sesquiterpenoids from Valeriana officinalis
stated in
Seasonal variation of the essential oil, valerenic acid and derivatives, and velopotriates in Valeriana officinalis roots and rhizomes, and the selection of plants suitable for phytomedicines.
stated in
Seasonal Variation of the Essential Oil, Valerenic Acid Derivatives, and Valepotriates inValeriana officinalisRoots1
stated in
Chemical Composition of Salvia officinalis Essential oil of Libya
stated in
Essential Oil Composition ofValeriana officinalisssp.collinaCultivated in Bulgaria
stated in
Essential oils from normal and hairy roots of Valeriana officinalis var. sambucifolia
Cymbopogon flexuosus
1 reference
stated in
Chemical Features and Productivity of a Geraniol-Rich Variety (GRL-1) of Cymbopogon flexuosus*
Valeriana wolgensis
1 reference
stated in
Chemical composition of the rhizomes with roots of Valeriana wolgensis from the Valeriana officinalis group
Nardostachys jatamansi
1 reference
stated in
A rapid and highly sensitive UPLC-QTOF MS method for quantitative evaluation of Nardostachys jatamansi using Nardin as the marker
Rhododendron groenlandicum
1 reference
stated in
Isolation of very volatile compounds from the leaves ofLedum palustre using the purge & trap technique
Rhododendron tomentosum
1 reference
stated in
Isolation of very volatile compounds from the leaves ofLedum palustre using the purge & trap technique
Identifiers
InChI
InChI=1S/C15H22O/c1-10(9-16)8-13-6-4-11(2)14-7-5-12(3)15(13)14/h8-9,11,13-14H,4-7H2,1-3H3/b10-8+/t11-,13+,14-/m1/s1
0 references
InChIKey
RJZWGDPBGWGJNU-MTXIQXFFSA-N
0 references
CAS Registry Number
4176-16-3
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
6440942
1 reference
matched by identifier from
InChIKey
InChIKey
RJZWGDPBGWGJNU-MTXIQXFFSA-N
ChEBI ID
166676
mapping relation type
exact match
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C15H22O/c1-10(9-16)8-13-6-4-11(2)14-7-5-12(3)15(13)14/h8-9,11,13-14H,4-7H2,1-3H3/b10-8+/t11-,13+,14-/m1/s1
SureChEMBL ID
SCHEMBL399594
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
RJZWGDPBGWGJNU-MTXIQXFFSA-N
UniChem compound ID
32989918
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID201318686
1 reference
matched by identifier from
InChIKey
InChIKey
RJZWGDPBGWGJNU-MTXIQXFFSA-N
LIPID MAPS ID
LMPR0103040001
1 reference
stated in
LIPID MAPS
reference URL
http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download
retrieved
30 June 2018
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