Molecule

oxaline

AlkaPlorer ID: AK045046

Synonym: '', 'Oxaline', '55623-37-5'

IUPAC Name: (9S,14E)-14-(1H-imidazol-5-ylmethylidene)-2,11-dimethoxy-9-(2-methylbut-3-en-2-yl)-2,13,16-triazatetracyclo[7.7.0.01,13.03,8]hexadeca-3,5,7,10-tetraene-12,15-dione

Structure

SMILES: C=CC(C)(C)[C@]12C=C(OC)C(=O)N3/C(=C/C4=CN=CN4)C(O)=NC31N(OC)C1=CC=CC=C12

InChI: InChI=1S/C24H25N5O4/c1-6-22(2,3)23-12-19(32-4)21(31)28-18(11-15-13-25-14-26-15)20(30)27-24(23,28)29(33-5)17-10-8-7-9-16(17)23/h6-14H,1H2,2-5H3,(H,25,26)(H,27,30)/b18-11+/t23-,24?/m1/s1

InChIKey: SOHAVULMGIITDH-WNYKETQYSA-N

Reference

Use of Experimental Design for the Optimization of the Production of New Secondary Metabolites by Two <i>Penicillium</i> Species

PubChem CID: 6438440

CAS: 55623-37-5

LOTUS: LTS0149351

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Penicillium oxalicum	Penicillium	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 447.4950000000001

TPSA？: 103.28

MolLogP？: 3.2786000000000017

Number of H-Donors: 2

Number of H-Acceptors: 6

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi