Molecule

Pyrenosetin A

AlkaPlorer ID: AK327549

Synonym: None

IUPAC Name: (2R,3R,3aS,5'S,5aR,7S,9aS,9bR)-3-[(3S)-3-hydroxybut-1-enyl]-5'-(hydroxymethyl)-1',4,7,9b-tetramethylspiro[3,3a,5a,6,7,8,9,9a-octahydrocyclopenta[a]naphthalene-2,3'-pyrrolidine]-1,2',4'-trione

Structure

SMILES: CC1=C[C@H]2C[C@@H](C)CC[C@@H]2[C@@]2(C)C(=O)[C@@]3(C(=O)[C@H](CO)N(C)C3=O)[C@H](C=C[C@H](C)O)[C@@H]12

InChI: InChI=1S/C25H35NO5/c1-13-6-8-17-16(10-13)11-14(2)20-18(9-7-15(3)28)25(22(30)24(17,20)4)21(29)19(12-27)26(5)23(25)31/h7,9,11,13,15-20,27-28H,6,8,10,12H2,1-5H3/t13-,15-,16+,17-,18+,19-,20+,24+,25-/m0/s1

InChIKey: JBZGVPJZPTUTAU-WPJIATISSA-N

Reference

Pyrenosetins A–C, New Decalinoylspirotetramic Acid Derivatives Isolated by Bioactivity-Based Molecular Networking from the Seaweed-Derived Fungus Pyrenochaetopsis sp. FVE-001

PubChem CID: 156581891

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NPAtlas: NPA030892

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Pyrenochaetopsis sp.	Pyrenochaetopsis	Pyrenochaetopsidaceae	Pleosporales	Dothideomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 429.5570000000002

TPSA？: 94.91

MolLogP？: 2.1455

Number of H-Donors: 2

Number of H-Acceptors: 5

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi