(Q82198190)

English

3,6-bis(1H-indol-3-ylmethyl)piperazine-2,5-dione

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

biogenic cyclopeptide

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biogenic 2,5-diketopiperazine

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chaetocin-like alkaloid

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mass

372.15862588 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₀N₄O₂

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canonical SMILES

O=C1NC(Cc2c[nH]c3ccccc23)C(=O)NC1Cc1c[nH]c2ccccc12

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found in taxon

Penicillium dierckxii

1 reference

stated in

Eutypoids B-E produced by a Penicillium sp. strain from the North Sea.

Identifiers

InChI

InChI=1S/C22H20N4O2/c27-21-19(9-13-11-23-17-7-3-1-5-15(13)17)25-22(28)20(26-21)10-14-12-24-18-8-4-2-6-16(14)18/h1-8,11-12,19-20,23-24H,9-10H2,(H,25,28)(H,26,27)

0 references

InChIKey

DNHODRZUCGXYKU-UHFFFAOYSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

DNHODRZUCGXYKU-UHFFFAOYSA-N

ChEBI ID

183716

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C22H20N4O2/c27-21-19(9-13-11-23-17-7-3-1-5-15(13)17)25-22(28)20(26-21)10-14-12-24-18-8-4-2-6-16(14)18/h1-8,11-12,19-20,23-24H,9-10H2,(H,25,28)(H,26,27)

1 reference

1 reference

matched by identifier from

InChIKey

DNHODRZUCGXYKU-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID00347982

0 references

(Q82198190)

3,6-bis(1H-indol-3-ylmethyl)piperazine-2,5-dione

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Identifiers

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