Epi-neoxaline
AlkaPlorer ID: AK063680
Synonym: 'Neooxaline', 'Neoxaline'
IUPAC Name: (1R,9S,11R,14E)-11-hydroxy-14-(1H-imidazol-5-ylmethylidene)-2-methoxy-9-(2-methylbut-3-en-2-yl)-2,13,16-triazatetracyclo[7.7.0.01,13.03,8]hexadeca-3,5,7-triene-12,15-dione
Structure
SMILES: C=CC(C)(C)[C@]12C[C@@H](O)C(=O)N3/C(=C/C4=CN=CN4)C(O)=N[C@@]31N(OC)C1=CC=CC=C12
InChI: InChI=1S/C23H25N5O4/c1-5-21(2,3)22-11-18(29)20(31)27-17(10-14-12-24-13-25-14)19(30)26-23(22,27)28(32-4)16-9-7-6-8-15(16)22/h5-10,12-13,18,29H,1,11H2,2-4H3,(H,24,25)(H,26,30)/b17-10+/t18-,22-,23-/m1/s1
InChIKey: HHLNXXASUKFCCX-OWFGATTCSA-N
Reference
Neoxaline, a new alkaloid produced by Aspergillus japonicus. Production, isolation and properties.
PubChem CID: 92468105
LOTUS: LTS0260458
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus japonicus | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 435.48400000000015
TPSA？: 114.28
MolLogP？: 2.4993000000000007
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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