Molecule

Neofipiperzine C

AlkaPlorer ID: AK050195

Synonym: None

IUPAC Name: (1R,2S,12S,15S)-1,2-dihydroxy-12-(2-hydroxy-2-methylpropyl)-7-methoxy-10-(3-methylbut-2-enyl)-10,13,19-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-3(11),4(9),5,7-tetraene-14,20-dione

Structure

SMILES: COC1=CC=C2C3=C([C@H](CC(C)(C)O)N4C(=O)[C@@H]5CCCN5C(=O)[C@]4(O)[C@H]3O)N(CC=C(C)C)C2=C1

InChI: InChI=1S/C27H35N3O6/c1-15(2)10-12-28-19-13-16(36-5)8-9-17(19)21-22(28)20(14-26(3,4)34)30-24(32)18-7-6-11-29(18)25(33)27(30,35)23(21)31/h8-10,13,18,20,23,31,34-35H,6-7,11-12,14H2,1-5H3/t18-,20-,23-,27+/m0/s1

InChIKey: PHYQSJPYTFUFQL-LRAXRWESSA-N

Reference

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

PubChem CID: 139583978

LOTUS: LTS0149445

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NPAtlas: NPA003168

data_source: manually

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: 497.5920000000003

TPSA？: 115.47000000000004

MolLogP？: 2.387

Number of H-Donors: 3

Number of H-Acceptors: 7

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi