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(Q77566586)
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Caruilignan D
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
2-(3',5'-Dimethoxy-4'-hydroxyphenyl)-3,7-dioxabicyclo[3.3.0]octan-6-one
1 reference
based on heuristic
inferred from SMILES
mass
280.094688232
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(3S,3aS,6aS)-3-(4-hydroxy-3,5-dimethoxyphenyl)-3,3a,4,6a-tetrahydro-1H-furo[3,4-c]furan-6-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
Zhepeiresinol
1 reference
based on heuristic
inferred from InChI
(3R,3aS,6aS)-3-(4-hydroxy-3,5-dimethoxyphenyl)-3,3a,4,6a-tetrahydro-1H-furo[3,4-c]furan-6-one
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₄H₁₆O₆
0 references
canonical SMILES
O=C1OCC2C(OCC12)C3=CC(OC)=C(O)C(OC)=C3
0 references
isomeric SMILES
COC1=CC(=CC(=C1O)OC)[C@H]2[C@H]3COC(=O)[C@H]3CO2
0 references
found in taxon
Artemisia caruifolia
1 reference
stated in
Triterpenes and lignans from Artemisia caruifolia and their cytotoxic effects on meth-A and LLC tumor cell lines
Daldinia concentrica
1 reference
stated in
Chemical constituents of the ascomycete Daldinia concentrica
Artemisia carvifolia
1 reference
stated in
Triterpenes and lignans from Artemisia caruifolia and their cytotoxic effects on meth-A and LLC tumor cell lines
Identifiers
InChI
InChI=1S/C14H16O6/c1-17-10-3-7(4-11(18-2)12(10)15)13-8-5-20-14(16)9(8)6-19-13/h3-4,8-9,13,15H,5-6H2,1-2H3/t8-,9-,13-/m0/s1
0 references
InChIKey
AUXYOVQIZNPKSO-RVBZMBCESA-N
2 references
stated in
PubChem
PubChem CID
10850329
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
10850329
language of work or name
English
PubChem CID
10850329
2 references
stated in
PubChem
PubChem CID
10850329
language of work or name
English
matched by identifier from
InChIKey
InChIKey
AUXYOVQIZNPKSO-RVBZMBCESA-N
ChEBI ID
218522
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C14H16O6/c1-17-10-3-7(4-11(18-2)12(10)15)13-8-5-20-14(16)9(8)6-19-13/h3-4,8-9,13,15H,5-6H2,1-2H3/t8-,9-,13-/m0/s1
UniChem compound ID
34603573
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA015686
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
AUXYOVQIZNPKSO-RVBZMBCESA-N
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