(Q105344037)

English

(3S,6Z)-3-methoxy-3-methyl-6-[[2-(2-methylbut-3-en-2-yl)-5-(3-methylbut-2-enyl)-1H-indol-3-yl]methylidene]piperazine-2,5-dione

chemical compound

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instance of

type of chemical entity

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subclass of

3-methoxy-3-methyl-6-[[2-(2-methylbut-3-en-2-yl)-5-(3-methylbut-2-enyl)-1H-indol-3-yl]methylidene]piperazine-2,5-dione

1 reference

based on heuristic

inferred from SMILES

mass

421.236541852 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₁N₃O₃

0 references

canonical SMILES

C=CC(C)(C)c1[nH]c2ccc(CC=C(C)C)cc2c1C=C1NC(=O)C(C)(OC)NC1=O

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isomeric SMILES

C=CC(C)(C)c1[nH]c2ccc(CC=C(C)C)cc2c1/C=C1\NC(=O)[C@](C)(OC)NC1=O

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found in taxon

Aspergillus stellatus

1 reference

stated in

Isoechinulin-type alkaloids, variecolorins A-L, from halotolerant Aspergillus variecolor

Identifiers

InChI

InChI=1S/C25H31N3O3/c1-8-24(4,5)21-18(14-20-22(29)28-25(6,31-7)23(30)27-20)17-13-16(10-9-15(2)3)11-12-19(17)26-21/h8-9,11-14,26H,1,10H2,2-7H3,(H,27,30)(H,28,29)/b20-14-/t25-/m0/s1

0 references

InChIKey

XXJNZGPUCVMTGE-OKPLFKEKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XXJNZGPUCVMTGE-OKPLFKEKSA-N

ChEBI ID

197922

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C25H31N3O3/c1-8-24(4,5)21-18(14-20-22(29)28-25(6,31-7)23(30)27-20)17-13-16(10-9-15(2)3)11-12-19(17)26-21/h8-9,11-14,26H,1,10H2,2-7H3,(H,27,30)(H,28,29)/b20-14-/t25-/m0/s1

(Q105344037)

(3S,6Z)-3-methoxy-3-methyl-6-[[2-(2-methylbut-3-en-2-yl)-5-(3-methylbut-2-enyl)-1H-indol-3-yl]methylidene]piperazine-2,5-dione

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Identifiers

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