(Q104998766)

English

(1S,4S,12R,14S,17S,25R)-12,25-dihydroxy-4,17-bis(2-methylbut-3-en-2-yl)-3,5,16-triazaheptacyclo[14.10.0.03,14.04,12.06,11.017,25.019,24]hexacosa-6,8,10,19,21,23-hexaene-2,15-dione

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

biogenic 2,5-diketopiperazine

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chaetocin-like alkaloid

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mass

539.278406664 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₃H₃₇N₃O₄

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canonical SMILES

O=C1N2C(C(=O)N3C1CC4(O)C=5C=CC=CC5CC34C(C=C)(C)C)CC6(O)C=7C=CC=CC7NC26C(C=C)(C)C

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isomeric SMILES

C=CC(C)(C)[C@@]12Cc3ccccc3[C@]1(O)C[C@H]1C(=O)N3[C@@H](C[C@@]4(O)c5ccccc5N[C@@]34C(C)(C)C=C)C(=O)N12

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found in taxon

Penicillium dierckxii

1 reference

stated in

New diketopiperazine alkaloids from Penicillium fellutanum

Identifiers

InChI

InChI=1S/C33H37N3O4/c1-7-28(3,4)32-17-20-13-9-10-14-21(20)30(32,39)18-24-27(38)36-25(26(37)35(24)32)19-31(40)22-15-11-12-16-23(22)34-33(31,36)29(5,6)8-2/h7-16,24-25,34,39-40H,1-2,17-19H2,3-6H3/t24-,25-,30+,31+,32-,33-/m0/s1

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InChIKey

FOHQYZAWIHZRDR-ZKAXYECFSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FOHQYZAWIHZRDR-ZKAXYECFSA-N

1 reference

(Q104998766)

(1S,4S,12R,14S,17S,25R)-12,25-dihydroxy-4,17-bis(2-methylbut-3-en-2-yl)-3,5,16-triazaheptacyclo[14.10.0.03,14.04,12.06,11.017,25.019,24]hexacosa-6,8,10,19,21,23-hexaene-2,15-dione

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Identifiers

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