(4E)-7-hydroxy-4-[(1H-imidazol-5-yl)methylidene]-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.0²,?.0¹?,¹?]hexadeca-10,12,14-triene-3,6-dione
AlkaPlorer ID: AK440589
Synonym: None
IUPAC Name: (1S,4Z,7S,9R)-7-hydroxy-4-(1H-imidazol-5-ylmethylidene)-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
Structure
SMILES: C=CC(C)(C)[C@@]12C[C@]3(O)C(O)=N/C(=C\C4=CN=CN4)C(=O)N3[C@@H]1NC1=CC=CC=C12
InChI: InChI=1S/C22H23N5O3/c1-4-20(2,3)21-11-22(30)19(29)26-16(9-13-10-23-12-24-13)17(28)27(22)18(21)25-15-8-6-5-7-14(15)21/h4-10,12,18,25,30H,1,11H2,2-3H3,(H,23,24)(H,26,29)/b16-9-/t18-,21+,22-/m0/s1
InChIKey: KZSZQDUCTFQAES-LLYJTOGPSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Penicillium solitum | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 405.4580000000001
TPSA？: 113.84
MolLogP？: 2.5434
Number of H-Donors: 4
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|