Molecule

5,5′-epoxy-MKN-349A

AlkaPlorer ID: AK087980

Synonym: None

IUPAC Name: (1S,4S,7S,10S,13S,16S)-4-[(2S)-butan-2-yl]-13-(2-methylpropyl)-19-oxa-2,5,11,14-tetrazatetracyclo[8.8.1.02,16.07,11]nonadecane-3,6,12,15-tetrone

Structure

SMILES: CC[C@H](C)[C@@H]1N=C(O)[C@@H]2CC[C@@H]3O[C@H]4CC[C@@H](C(O)=N[C@@H](CC(C)C)C(=O)N32)N4C1=O

InChI: InChI=1S/C22H34N4O5/c1-5-12(4)18-22(30)26-14-6-9-17(26)31-16-8-7-15(20(28)24-18)25(16)21(29)13(10-11(2)3)23-19(14)27/h11-18H,5-10H2,1-4H3,(H,23,27)(H,24,28)/t12-,13-,14-,15-,16-,17-,18-/m0/s1

InChIKey: XITLRNMYNJUDBJ-GOMYCMKKSA-N

Reference

A New Cyclic Peptide and a New Steroid from the Fungus <i>Penicillium</i> sp. GD6 Isolated from the Mangrove <i>Bruguiera gymnorrhiza</i>

PubChem CID: 139587109

LOTUS: LTS0047922

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NPAtlas: NPA014447

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Penicillium sp. GD6	Penicillium	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 434.53700000000015

TPSA？: 115.03

MolLogP？: 2.4068000000000005

Number of H-Donors: 2

Number of H-Acceptors: 5

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi