Molecule

Neofipiperzine A

AlkaPlorer ID: AK060143

Synonym: None

IUPAC Name: (9R,13R,14R,17S,23R,24S)-13,23,24-trihydroxy-5-methoxy-12,12-dimethyl-9-(2-methylprop-1-enyl)-10,11-dioxa-8,15,21-triazahexacyclo[12.10.1.02,7.08,25.015,23.017,21]pentacosa-1(25),2(7),3,5-tetraene-16,22-dione

Structure

SMILES: COC1=CC=C2C3=C4[C@H]([C@@H](O)C(C)(C)OO[C@H](C=C(C)C)N4C2=C1)N1C(=O)[C@@H]2CCCN2C(=O)[C@]1(O)[C@H]3O

InChI: InChI=1S/C27H33N3O8/c1-13(2)11-18-29-17-12-14(36-5)8-9-15(17)19-20(29)21(23(32)26(3,4)38-37-18)30-24(33)16-7-6-10-28(16)25(34)27(30,35)22(19)31/h8-9,11-12,16,18,21-23,31-32,35H,6-7,10H2,1-5H3/t16-,18+,21+,22-,23+,27+/m0/s1

InChIKey: DIIPCTMZAPQKGG-XPJDWHCTSA-N

Reference

Three New Prenylated Diketopiperazines from <i>Neosartorya fischeri</i>

PubChem CID: 139584281

LOTUS: LTS0274652

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NPAtlas: NPA004293

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Neosartorya	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota
None	Neosartorya	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 527.5740000000004

TPSA？: 133.93

MolLogP？: 1.8259

Number of H-Donors: 3

Number of H-Acceptors: 9

RingCount: 6

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi