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(Q83104302)
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English
2,5-Piperazinedione, 3-(hydroxymethyl)-6-((4-((3-methyl-2-butenyl)oxy)phenyl)methyl)-, (3S,6S)-
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic cyclopeptide
0 references
biogenic 2,5-diketopiperazine
0 references
mass
318.157957184
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(3R,6R)-3-(hydroxymethyl)-6-[[4-(3-methylbut-2-enoxy)phenyl]methyl]piperazine-2,5-dione
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₇H₂₂N₂O₄
0 references
canonical SMILES
CC(C)=CCOc1ccc(CC2NC(=O)C(CO)NC2=O)cc1
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isomeric SMILES
CC(C)=CCOc1ccc(C[C@@H]2NC(=O)[C@H](CO)NC2=O)cc1
0 references
found in taxon
Leptosphaeria maculans
4 references
stated in
Minor phytotoxins from the blackleg fungus Phoma lingam
stated in
Structure and synthesis of phomamide, a new piperazine-2,5-dione related to the sirodesmins, isolated from the culture medium of Phoma lingam Tode
stated in
Structure and synthesis of phomamide, a new piperazine-2,5-dione related to the sirodesmins, isolated from the culture medium of Phoma lingam Tode
stated in
Structure and synthesis of phomamide, a new piperazine-2,5-dione related to the sirodesmins, isolated from the culture medium of Phoma lingam Tode
Phoma linga
2 references
stated in
Structure and synthesis of phomamide, a new piperazine-2,5-dione related to the sirodesmins, isolated from the culture medium of Phoma lingam Tode
stated in
Minor phytotoxins from the blackleg fungus Phoma lingam
Identifiers
InChI
InChI=1S/C17H22N2O4/c1-11(2)7-8-23-13-5-3-12(4-6-13)9-14-16(21)19-15(10-20)17(22)18-14/h3-7,14-15,20H,8-10H2,1-2H3,(H,18,22)(H,19,21)/t14-,15-/m0/s1
0 references
InChIKey
KRLKPTMEUFJHKD-GJZGRUSLSA-N
0 references
CAS Registry Number
74347-50-5
0 references
PubChem CID
156472
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KRLKPTMEUFJHKD-GJZGRUSLSA-N
ChEBI ID
218115
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C17H22N2O4/c1-11(2)7-8-23-13-5-3-12(4-6-13)9-14-16(21)19-15(10-20)17(22)18-14/h3-7,14-15,20H,8-10H2,1-2H3,(H,18,22)(H,19,21)/t14-,15-/m0/s1
UniChem compound ID
549832
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20225354
1 reference
matched by identifier from
InChIKey
InChIKey
KRLKPTMEUFJHKD-GJZGRUSLSA-N
DSSTOX compound identifier
DTXCID20147845
0 references
Natural Product Atlas ID
NPA020000
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KRLKPTMEUFJHKD-GJZGRUSLSA-N
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