Molecule

oxaline

AlkaPlorer ID: AK045043

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

IUPAC Name: (1R,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)=N[C@@]31N(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-SSDCDQDPSA-N

Reference

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

PubChem CID: 21598365

LOTUS: LTS0077943

NPASS: NPC94524

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Penicillium	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota
Penicillium oxalicum	Penicillium	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota
None	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
Mycobacterium tuberculosis	Mycobacterium tuberculosis	Inhibition	None	%	10.1021/np100470h