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name Structure Reference Source Properties Activities Metabolism

(11S,14R,16S,24S)-23-acetyl-11-isopropyl-16-(2-methylbut-3-en-2-yl)-1,9,12,23-tetraazapentacyclo[12.10.0.0³,⁸.0¹⁶,²⁴.0¹⁷,²²]tetracosa-3(8),4,6,17(22),18,20-hexaene-2,10,13-trione

AlkaPlorer ID: AK108174

Synonym: None

IUPAC Name: (11S,14R,16S,24S)-23-acetyl-16-(2-methylbut-3-en-2-yl)-11-propan-2-yl-1,9,12,23-tetrazapentacyclo[12.10.0.03,8.016,24.017,22]tetracosa-3,5,7,17,19,21-hexaene-2,10,13-trione

Structure

SMILES: C=CC(C)(C)[C@]12C[C@@H]3C(O)=N[C@@H](C(C)C)C(O)=NC4=CC=CC=C4C(=O)N3[C@H]1N(C(C)=O)C1=CC=CC=C12

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InChI: InChI=1S/C30H34N4O4/c1-7-29(5,6)30-16-23-25(36)32-24(17(2)3)26(37)31-21-14-10-8-12-19(21)27(38)34(23)28(30)33(18(4)35)22-15-11-9-13-20(22)30/h7-15,17,23-24,28H,1,16H2,2-6H3,(H,31,37)(H,32,36)/t23-,24+,28-,30+/m1/s1

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InChIKey: WHAGCGDAGYOTBE-VQNIMACBSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Aspergillus novofumigatus Aspergillus Aspergillaceae Eurotiales Eurotiomycetes Ascomycota Fungi Eukaryota

Properties Information

Molecule Weight: 514.6260000000002

TPSA？: 105.79999999999998

MolLogP？: 5.326600000000004

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information