Molecule

Shornephine A

AlkaPlorer ID: AK313500

Synonym: PF 1233B

IUPAC Name: 4-benzyl-9,14-dihydroxy-1-(2-methylbut-3-en-2-yl)-5-oxa-2,16-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-10(15),11,13-triene-3,6-dione

Structure

SMILES: C=CC(C)(C)C12NC3=C(O)C=CC=C3C1(O)CC1C(=O)OC(CC3=CC=CC=C3)C(=O)N12

InChI: InChI=1S/C25H26N2O5/c1-4-23(2,3)25-24(31,16-11-8-12-18(28)20(16)26-25)14-17-22(30)32-19(21(29)27(17)25)13-15-9-6-5-7-10-15/h4-12,17,19,26,28,31H,1,13-14H2,2-3H3

InChIKey: VMKCIRAJEVFSFR-UHFFFAOYSA-N

Reference

Shornephine A: Structure, Chemical Stability, and P-Glycoprotein Inhibitory Properties of a Rare Diketomorpholine from an Australian Marine-Derived <i>Aspergillus</i> sp.

PubChem CID: 163064063

LOTUS: LTS0226070

COCONUT: CNP0354674.1

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Aspergillus niveus	Aspergillus	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota
Aspergillus alabamensis	Aspergillus	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota
Aspergillus sp.	Aspergillus	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 434.4920000000002

TPSA？: 99.1

MolLogP？: 2.6828000000000003

Number of H-Donors: 3

Number of H-Acceptors: 6

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi