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(Q105170311)
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Valerianol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
2-[(2R,8aR)-8,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-yl]propan-2-ol
1 reference
based on heuristic
inferred from SMILES
2-[(8aS)-8,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-yl]propan-2-ol
1 reference
based on heuristic
inferred from SMILES
mass
222.198365452
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
2-[(2S,8R,8aS)-8,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-yl]propan-2-ol
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
eremoligenol
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₆O
0 references
canonical SMILES
OC(C)(C)C1CCC2=CCCC(C)C2(C)C1
0 references
isomeric SMILES
C[C@@H]1CCC=C2CC[C@@H](C(C)(C)O)C[C@]21C
0 references
found in taxon
Valeriana officinalis
5 references
stated in
The structure of valerianol, a sesquiterpenic alcohol of eremophilane type from valeriana oil
stated in
Pacifigorgianes and tamariscene as constituents of Frullania tamarisci and Valeriana officinalis
stated in
Seasonal Variation of the Essential Oil, Valerenic Acid Derivatives, and Valepotriates inValeriana officinalisRoots1
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
Composition of the essential oils from underground parts ofValeriana officinalis L.s.l. and several closely related taxa
Stigmatella aurantiaca
1 reference
stated in
Biosynthesis and identification of volatiles released by the myxobacterium Stigmatella aurantiaca
Laggera alata
1 reference
stated in
6-Hydroxycarvotanacetone and other constituents of the essential oil ofLaggera alata (D. Don) Sch. Bip. ex Oliv.
Hedychium spicatum
1 reference
stated in
Constituents of the essential oil from the rhizomes ofHedychium acumnatum Roscoe
Aquilaria malaccensis
1 reference
stated in
Agarwood oil (Aquilaria agallocha Roxb.). Its composition and eight new valencane-, eremophilane- and vetispirane- derivatives
Salvia sclarea
1 reference
stated in
Constituents of the Essential Oil of Salvia sclarea Growing Wild in Greece
Pelargonium vitifolium
1 reference
stated in
Composition of the Essential Oil ofPelargonium vitifolium(L.) L'Hérit. (Geraniaceae)
Amyris balsamifera
2 references
stated in
Essential oil of Amyris balsamifera
stated in
Valerianol—The Major Sesquiterpene Alcohol fromAmyris balsamifera
Valeriana excelsa
1 reference
stated in
Composition of the essential oils from underground parts ofValeriana officinalis L.s.l. and several closely related taxa
Valeriana hardwickei
1 reference
stated in
Composition of the essential oils from underground parts ofValeriana officinalis L.s.l. and several closely related taxa
Salvia aurea
1 reference
stated in
A chemometric assessment of essential oil variation of three Salvia species indigenous to South Africa
'Salvia africana-lutea' [ L. (1753) ]
1 reference
stated in
A chemometric assessment of essential oil variation of three Salvia species indigenous to South Africa
Identifiers
InChI
InChI=1S/C15H26O/c1-11-6-5-7-12-8-9-13(14(2,3)16)10-15(11,12)4/h7,11,13,16H,5-6,8-10H2,1-4H3/t11-,13-,15+/m1/s1
0 references
InChIKey
MQWIFDHBNGIVPO-KYOSRNDESA-N
0 references
CAS Registry Number
20489-45-6
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
9859337
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
MQWIFDHBNGIVPO-KYOSRNDESA-N
ChEBI ID
143779
mapping relation type
exact match
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C15H26O/c1-11-6-5-7-12-8-9-13(14(2,3)16)10-15(11,12)4/h7,11,13,16H,5-6,8-10H2,1-4H3/t11-,13-,15+/m1/s1
SureChEMBL ID
SCHEMBL2844420
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MQWIFDHBNGIVPO-KYOSRNDESA-N
UniChem compound ID
34018678
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID601317373
1 reference
matched by identifier from
InChIKey
InChIKey
MQWIFDHBNGIVPO-KYOSRNDESA-N
Natural Product Atlas ID
NPA031233
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MQWIFDHBNGIVPO-KYOSRNDESA-N
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