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(Q77385274)
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Erinacerin E
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
8-[2-(1-carboxy-2-methylpropyl)-4,6-dihydroxy-1-oxo-3H-isoindol-5-yl]-2,6-dimethylocta-2,6-dienoic acid
1 reference
based on heuristic
inferred from SMILES
mass
431.194402268
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₃H₂₉NO₇
0 references
canonical SMILES
O=C(O)C(=CCCC(=CCC1=C(O)C=C2C(=O)N(CC2=C1O)C(C(=O)O)C(C)C)C)C
0 references
isomeric SMILES
CC(C)[C@@H](C(=O)O)N1CC2=C(C(=C(C=C2C1=O)O)C/C=C(\C)/CC/C=C(\C)/C(=O)O)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/C23H29NO7/c1-12(2)19(23(30)31)24-11-17-16(21(24)27)10-18(25)15(20(17)26)9-8-13(3)6-5-7-14(4)22(28)29/h7-8,10,12,19,25-26H,5-6,9,11H2,1-4H3,(H,28,29)(H,30,31)/b13-8+,14-7+/t19-/m0/s1
0 references
InChIKey
WZPQGZXKERSUDY-BMIBEWIESA-N
2 references
stated in
PubChem
PubChem CID
101910491
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
101910491
language of work or name
English
PubChem CID
101910491
2 references
stated in
PubChem
PubChem CID
101910491
language of work or name
English
matched by identifier from
InChIKey
InChIKey
WZPQGZXKERSUDY-BMIBEWIESA-N
ChEBI ID
204347
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C23H29NO7/c1-12(2)19(23(30)31)24-11-17-16(21(24)27)10-18(25)15(20(17)26)9-8-13(3)6-5-7-14(4)22(28)29/h7-8,10,12,19,25-26H,5-6,9,11H2,1-4H3,(H,28,29)(H,30,31)/b13-8+,14-7+/t19-/m0/s1
UniChem compound ID
101292538
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA007427
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WZPQGZXKERSUDY-BMIBEWIESA-N
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