Molecule

(–)-pestaloxazine A

AlkaPlorer ID: AK127529

Synonym: None

IUPAC Name: (6S,9S)-4,13-bis[(E)-5-hydroxy-3-methylpent-2-enoyl]-5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadecane-7,15-dione

Structure

SMILES: C/C(=C\C(=O)N1CCC[C@]2(NC(=O)[C@@]3(CCCN(C(=O)/C=C(\C)CCO)O3)NC2=O)O1)CCO

InChI: InChI=1S/C22H32N4O8/c1-15(5-11-27)13-17(29)25-9-3-7-21(33-25)19(31)24-22(20(32)23-21)8-4-10-26(34-22)18(30)14-16(2)6-12-28/h13-14,27-28H,3-12H2,1-2H3,(H,23,32)(H,24,31)/b15-13+,16-14+/t21-,22-/m0/s1

InChIKey: ULBZDTAPWSWKLY-LULYSUNASA-N

Reference

(+)- and (−)-Pestaloxazine A, a Pair of Antiviral Enantiomeric Alkaloid Dimers with a Symmetric Spiro[oxazinane-piperazinedione] Skeleton from <i>Pestalotiopsis</i> sp.

PubChem CID: 145257025

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NPAtlas: NPA029923

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Pestalotiopsis sp.	Pestalotiopsis	Sporocadaceae	Xylariales	Sordariomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 480.5180000000003

TPSA？: 157.73999999999998

MolLogP？: -0.6095999999999973

Number of H-Donors: 4

Number of H-Acceptors: 8

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi