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N-Acetylardeemin

  • Formula: C28H28N4O3

  • Molecular weight: 468.50

  • Smiles: CC1C(=O)N2C(CC3(C2N(C4=CC=CC=C43)C(=O)C)C(C)(C)C=C)C5=NC6=CC=CC=C6C(=O)N15

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N-Acetylardeemin

Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
Fungi

Names

  • Mycotoxin name: N-Acetylardeemin

  • First synonym: None

  • Synonyms: 5-N-Acetylardeemin,148441-26-3,(1S,12R,15R,23R)-16-acetyl-12-methyl-23-(2-methylbut-3-en-2-yl)-3,11,14,16-tetrazahexacyclo[12.10.0.02,11.04,9.015,23.017,22]tetracosa-2,4,6,8,17,19,21-heptaene-10,13-dione,N-Acetylardeemine,N-Acetylardeemin,Compound NP-012307,CHEMBL3402065,CHEBI:204788,AKOS040739100,Indolo(3'',2'',4',5')pyrrolo(2',1',3,4)pyrazino(2,1-b)quinazoline-5,8(7H,9aH)-dione, 10-acetyl-14b-(1,1-dimethyl-2-propenyl)-10,14b,15,15a-tetrahydro-7-methyl-, (7alpha,9abeta,14bbeta,15aalpha)-(-)-

Identifiers / External links

Structure

  • Smiles: CC1C(=O)N2C(CC3(C2N(C4=CC=CC=C43)C(=O)C)C(C)(C)C=C)C5=NC6=CC=CC=C6C(=O)N15

  • Isomeric smiles: C[C@@H]1C(=O)N2[C@@H](C[C@@]3([C@H]2N(C4=CC=CC=C43)C(=O)C)C(C)(C)C=C)C5=NC6=CC=CC=C6C(=O)N15

  • Inchi: InChI=1S/C28H28N4O3/c1-6-27(4,5)28-15-22-23-29-20-13-9-7-11-18(20)25(35)30(23)16(2)24(34)32(22)26(28)31(17(3)33)21-14-10-8-12-19(21)28/h6-14,16,22,26H,1,15H2,2-5H3/t16-,22+,26+,28-/m1/s1

  • Inchikey: XTLQWSBGQKPGCF-YWDSKPHESA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C28H28N4O3

  • Molecular weight: 468.50

  • Monoisotopic mass: 468.21614077

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