Molecule

Pericoannosin A

AlkaPlorer ID: AK101257

Synonym: None

IUPAC Name: (3S,5S)-3-[(1S,3R,4aR,8aS)-1-[(E)-but-2-en-2-yl]-3-hydroxy-7-methyl-1,4,4a,5,8,8a-hexahydroisochromen-3-yl]-5-(2-methylpropyl)pyrrolidin-2-one

Structure

SMILES: C/C=C(\C)[C@H]1O[C@@](O)([C@@H]2C[C@H](CC(C)C)N=C2O)C[C@H]2CC=C(C)C[C@@H]21

InChI: InChI=1S/C22H35NO3/c1-6-15(5)20-18-10-14(4)7-8-16(18)12-22(25,26-20)19-11-17(9-13(2)3)23-21(19)24/h6-7,13,16-20,25H,8-12H2,1-5H3,(H,23,24)/b15-6+/t16-,17+,18+,19-,20-,22-/m1/s1

InChIKey: ZQVUGTNCXDEQJP-JFCTZHMUSA-N

Reference

Pericoannosin A, a Polyketide Synthase–Nonribosomal Peptide Synthetase Hybrid Metabolite with New Carbon Skeleton from the Endophytic Fungus <i>Periconia</i> sp.

PubChem CID: 122208022

LOTUS: LTS0040589

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NPAtlas: NPA020228

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Periconia sp.	Periconia	Periconiaceae	Pleosporales	Dothideomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 361.5260000000001

TPSA？: 62.05

MolLogP？: 4.793700000000005

Number of H-Donors: 2

Number of H-Acceptors: 3

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi