(Q104999272)

English

(10S)-10-(1H-indol-3-ylmethyl)-8,11,19-triazatetracyclo[9.8.0.0²,⁷.0¹³,¹⁸]nonadeca-1,3,5,7,13,15,17-heptaene-9,12-dione

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

alkaloid

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mass

406.142975816 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₁₈N₄O₂

0 references

canonical SMILES

O=C1N=C2C=CC=CC2=C3NC=4C=CC=CC4C(=O)N3C1CC5=CNC=6C=CC=CC65

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isomeric SMILES

O=C1N=c2ccccc2=C2Nc3ccccc3C(=O)N2[C@H]1Cc1c[nH]c2ccccc12

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found in taxon

Aspergillus alliaceus

4 references

stated in

Novel cholecystokinin antagonists from Aspergillus alliaceus. I. Fermentation, isolation, and biological properties

stated in

Novel cholecystokinin antagonists from Aspergillus alliaceus. II. Structure determination of asperlicins B, C, D, and E

stated in

Novel cholecystokinin antagonists from Aspergillus alliaceus. II. Structure determination of asperlicins B, C, D, and E

stated in

Novel cholecystokinin antagonists from Aspergillus alliaceus. II. Structure determination of asperlicins B, C, D, and E

Identifiers

InChI

InChI=1S/C25H18N4O2/c30-24-22(13-15-14-26-19-10-4-1-7-16(15)19)29-23(17-8-2-5-11-20(17)28-24)27-21-12-6-3-9-18(21)25(29)31/h1-12,14,22,26-27H,13H2/t22-/m0/s1

0 references

InChIKey

FPMPIGZORJWWJX-QFIPXVFZSA-N

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1 reference

17 September 2022

inferred from InChIKey

DSSTox substance ID

DTXSID40918453

1 reference

matched by identifier from

InChIKey

FPMPIGZORJWWJX-QFIPXVFZSA-N

(Q104999272)

(10S)-10-(1H-indol-3-ylmethyl)-8,11,19-triazatetracyclo[9.8.0.0²,⁷.0¹³,¹⁸]nonadeca-1,3,5,7,13,15,17-heptaene-9,12-dione

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Identifiers

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