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(Q105375952)
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English
7-[[(2E,5E)-7-Hydroxy-3,7-dimethyl-2,5-octadienyl]oxy]-2H-1-benzopyran-2-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
2,6-dimethyloctane monoterpenoid
0 references
biogenic coumarin
0 references
mass
314.151809184
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₉H₂₂O₄
0 references
canonical SMILES
O=C1OC=2C=C(OCC=C(C)CC=CC(O)(C)C)C=CC2C=C1
0 references
isomeric SMILES
C/C(=C\COc1ccc2ccc(=O)oc2c1)C/C=C/C(C)(C)O
1 reference
based on heuristic
inferred from InChI
found in taxon
Clausena anisum-olens
1 reference
stated in
Coumarins from Clausena anisum-olens Merr
Clausena excavata
1 reference
stated in
Counlarins, limonoids and an alkaloid from Clausena excavata
Hansenia forbesii
1 reference
stated in
Novel coumarin glycoside and phenethyl vanillate from Notopterygium forbesii and their binding affinities for opioid and dopamine receptors
Rhadinothamnus anceps
1 reference
stated in
Coumarins and their taxonomic value in the genus Phebalium
Phebalium stenophyllum
1 reference
stated in
Coumarins and their taxonomic value in the genus Phebalium
Zanthoxylum schinifolium
2 references
stated in
Coumarins and anti-HBV constituents from Zanthoxylum schinifolium
stated in
Coumarins and antiplatelet constituents from the root bark of Zanthoxylum schinifolium
Identifiers
InChI
InChI=1S/C19H22O4/c1-14(5-4-11-19(2,3)21)10-12-22-16-8-6-15-7-9-18(20)23-17(15)13-16/h4,6-11,13,21H,5,12H2,1-3H3/b11-4+,14-10+
0 references
InChIKey
ZHQPRJMIAALFHX-ATTWWORZSA-N
0 references
CAS Registry Number
144398-46-9
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
25763650
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ZHQPRJMIAALFHX-ATTWWORZSA-N
UniChem compound ID
4666600
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID401141900
1 reference
matched by identifier from
InChIKey
InChIKey
ZHQPRJMIAALFHX-ATTWWORZSA-N
KNApSAcK ID
C00059953
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ZHQPRJMIAALFHX-ATTWWORZSA-N
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