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(Q77422945)
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Polanrazine B
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
3-(1H-indol-3-ylmethyl)-3,6-bis(methylsulfanyl)-6-propan-2-ylpiperazine-2,5-dione
1 reference
based on heuristic
inferred from SMILES
mass
377.123168976
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(3S,6S)-3-(1H-indol-3-ylmethyl)-3,6-bis(methylsulfanyl)-6-propan-2-ylpiperazine-2,5-dione
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₈H₂₃N₃O₂S₂
0 references
canonical SMILES
CSC1(Cc2c[nH]c3ccccc23)NC(=O)C(SC)(C(C)C)NC1=O
0 references
isomeric SMILES
CC(C)[C@]1(C(=O)N[C@](C(=O)N1)(CC2=CNC3=CC=CC=C32)SC)SC
0 references
found in taxon
Leptosphaeria maculans
6 references
stated in
Isolation, structure determination, and phytotoxicity of unusual dioxopiperazines from the phytopathogenic fungus Phoma lingam
stated in
Isolation, structure determination, and phytotoxicity of unusual dioxopiperazines from the phytopathogenic fungus Phoma lingam
stated in
Isolation, structure determination, and phytotoxicity of unusual dioxopiperazines from the phytopathogenic fungus Phoma lingam
stated in
Camalexin induces detoxification of the phytoalexin brassinin in the plant pathogen Leptosphaeria maculans
stated in
Isolation, structure determination, and phytotoxicity of unusual dioxopiperazines from the phytopathogenic fungus Phoma lingam
stated in
Phomapyrones from blackleg causing phytopathogenic fungi: isolation, structure determination, biosyntheses and biological activity
Phoma linga
2 references
stated in
Isolation, structure determination, and phytotoxicity of unusual dioxopiperazines from the phytopathogenic fungus Phoma lingam
stated in
Phomapyrones from blackleg causing phytopathogenic fungi: isolation, structure determination, biosyntheses and biological activity
Sphaeria macula
1 reference
stated in
Camalexin induces detoxification of the phytoalexin brassinin in the plant pathogen Leptosphaeria maculans
Biscogniauxia macula
1 reference
stated in
Camalexin induces detoxification of the phytoalexin brassinin in the plant pathogen Leptosphaeria maculans
Identifiers
InChI
InChI=1S/C18H23N3O2S2/c1-11(2)18(25-4)16(23)20-17(24-3,15(22)21-18)9-12-10-19-14-8-6-5-7-13(12)14/h5-8,10-11,19H,9H2,1-4H3,(H,20,23)(H,21,22)/t17-,18-/m1/s1
0 references
InChIKey
JXDWMFMAEDSXNI-QZTJIDSGSA-N
2 references
stated in
PubChem
PubChem CID
636615
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
636615
language of work or name
English
PubChem CID
636615
2 references
stated in
PubChem
PubChem CID
636615
language of work or name
English
matched by identifier from
InChIKey
InChIKey
JXDWMFMAEDSXNI-QZTJIDSGSA-N
ChEBI ID
205229
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C18H23N3O2S2/c1-11(2)18(25-4)16(23)20-17(24-3,15(22)21-18)9-12-10-19-14-8-6-5-7-13(12)14/h5-8,10-11,19H,9H2,1-4H3,(H,20,23)(H,21,22)/t17-,18-/m1/s1
UniChem compound ID
34280923
1 reference
stated in
UniChem
NMRShiftDB structure ID
2395
1 reference
matched by identifier from
InChIKey
InChIKey
JXDWMFMAEDSXNI-QZTJIDSGSA-N
Natural Product Atlas ID
NPA008462
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JXDWMFMAEDSXNI-QZTJIDSGSA-N
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