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(Q82123218)
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English
p-Hydroxyphenethyl trans-ferulate
chemical compound
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No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
alkyl caffeate ester
0 references
mass
314.115423676
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₁₈O₅
0 references
canonical SMILES
O=C(OCCC1=CC=C(O)C=C1)C=CC2=CC=C(O)C(OC)=C2
0 references
isomeric SMILES
COC1=C(C=CC(=C1)/C=C/C(=O)OCCC2=CC=C(C=C2)O)O
0 references
found in taxon
Angelica sinensis
2 references
stated in
Serotonergic activity-guided phytochemical investigation of the roots of Angelica sinensis
stated in
Serotonergic activity-guided phytochemical investigation of the roots of Angelica sinensis
Chaerophyllum hirsutum
2 references
stated in
Cytotoxic constituents of roots of Chaerophyllum hirsutum
stated in
Cytotoxic constituents of roots of Chaerophyllum hirsutum
Sida spinosa
2 references
stated in
Ecdysteroids and other constituents from Sida spinosa L.
stated in
Ecdysteroids and other constituents from Sida spinosa L.
Atropa acuminata
1 reference
stated in
Highly oxygenated triterpenes from the roots of Atropa acuminata.
Coriandrum sativum
2 references
stated in
Three isocoumarins from Coriandrum sativum
stated in
Three isocoumarins from Coriandrum sativum
Angelica gigas
1 reference
stated in
Angelica sinensis and its alkylphthalides induce the detoxification enzyme NAD(P)H: quinone oxidoreductase 1 by alkylating Keap1.
Glehnia littoralis
1 reference
stated in
Iron availability alters ascorbate-induced stress metabolism in Glehnia littoralis root cultures
Heracleum maximum
1 reference
stated in
A new phenolic compound from heracleum lanatum Michx. var. nippinicum Hara. II.
Heracleum sphondylium
1 reference
stated in
A new phenolic compound from heracleum lanatum Michx. var. nippinicum Hara. II.
Hansenia forbesii
1 reference
stated in
Novel coumarin glycoside and phenethyl vanillate from Notopterygium forbesii and their binding affinities for opioid and dopamine receptors
Oenanthe javanica
1 reference
stated in
A new phenylpropanoid glucoside and other constituents of Oenanthe javanica
Pimpinella javana
1 reference
stated in
A new phenylpropanoid glucoside and other constituents of Oenanthe javanica
Identifiers
InChI
InChI=1S/C18H18O5/c1-22-17-12-14(4-8-16(17)20)5-9-18(21)23-11-10-13-2-6-15(19)7-3-13/h2-9,12,19-20H,10-11H2,1H3/b9-5+
0 references
InChIKey
JMSFLLZUCIXALN-WEVVVXLNSA-N
0 references
CAS Registry Number
84873-15-4
1 reference
InChIKey
JMSFLLZUCIXALN-WEVVVXLNSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=84873-15-4
PubChem CID
637308
1 reference
matched by identifier from
InChIKey
InChIKey
JMSFLLZUCIXALN-WEVVVXLNSA-N
ChEBI ID
175029
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C18H18O5/c1-22-17-12-14(4-8-16(17)20)5-9-18(21)23-11-10-13-2-6-15(19)7-3-13/h2-9,12,19-20H,10-11H2,1H3/b9-5+
UniChem compound ID
55953
1 reference
stated in
UniChem
NMRShiftDB structure ID
20139991
1 reference
matched by identifier from
InChIKey
InChIKey
JMSFLLZUCIXALN-WEVVVXLNSA-N
DSSTox substance ID
DTXSID10348425
1 reference
matched by identifier from
InChIKey
InChIKey
JMSFLLZUCIXALN-WEVVVXLNSA-N
DSSTOX compound identifier
DTXCID00299497
0 references
Human Metabolome Database ID
HMDB0032806
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JMSFLLZUCIXALN-WEVVVXLNSA-N
KNApSAcK ID
C00041758
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JMSFLLZUCIXALN-WEVVVXLNSA-N
Probes And Drugs ID
PD167424
0 references
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