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(Q105207625)
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Erinacerin K
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
2-[4,6-dihydroxy-5-(6-methoxy-3-methyl-6-oxohex-2-en-1-yl)-1-oxo-3H-isoindol-2-yl]-3-phenylpropanoic acid
1 reference
based on heuristic
inferred from SMILES
mass
453.178752204
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₅H₂₇NO₇
0 references
canonical SMILES
O=C(O)C(N1C(=O)C2=CC(O)=C(C(O)=C2C1)CC=C(C)CCC(=O)OC)CC=3C=CC=CC3
0 references
isomeric SMILES
COC(=O)CC/C(C)=C/Cc1c(O)cc2c(c1O)CN([C@@H](Cc1ccccc1)C(=O)O)C2=O
0 references
found in taxon
Hericium erinaceus
1 reference
stated in
Erinacerins C–L, Isoindolin-1-ones with α-Glucosidase Inhibitory Activity from Cultures of the Medicinal Mushroom Hericium erinaceus
Identifiers
InChI
InChI=1S/C25H27NO7/c1-15(9-11-22(28)33-2)8-10-17-21(27)13-18-19(23(17)29)14-26(24(18)30)20(25(31)32)12-16-6-4-3-5-7-16/h3-8,13,20,27,29H,9-12,14H2,1-2H3,(H,31,32)/b15-8+/t20-/m0/s1
0 references
InChIKey
PFCGJFIJZKYTPM-FWAYRLMKSA-N
0 references
PubChem CID
139588050
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
PFCGJFIJZKYTPM-FWAYRLMKSA-N
ChEBI ID
206386
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C25H27NO7/c1-15(9-11-22(28)33-2)8-10-17-21(27)13-18-19(23(17)29)14-26(24(18)30)20(25(31)32)12-16-6-4-3-5-7-16/h3-8,13,20,27,29H,9-12,14H2,1-2H3,(H,31,32)/b15-8+/t20-/m0/s1
UniChem compound ID
170911100
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA017791
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
PFCGJFIJZKYTPM-FWAYRLMKSA-N
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