Molecule

Hymenosetin

AlkaPlorer ID: AK092092

Synonym: None

IUPAC Name: (3E,5S)-3-[[(1S,2R,4aS,6R,8aR)-1,3,6-trimethyl-2-[(E)-prop-1-enyl]-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-hydroxymethylidene]-5-[(1R)-1-hydroxyethyl]pyrrolidine-2,4-dione

Structure

SMILES: C/C=C/[C@@H]1C(C)=C[C@@H]2C[C@H](C)CC[C@H]2[C@]1(C)/C(O)=C1/C(=O)[C@H]([C@@H](C)O)N=C1O

InChI: InChI=1S/C23H33NO4/c1-6-7-16-13(3)11-15-10-12(2)8-9-17(15)23(16,5)21(27)18-20(26)19(14(4)25)24-22(18)28/h6-7,11-12,14-17,19,25,27H,8-10H2,1-5H3,(H,24,28)/b7-6+,21-18+/t12-,14-,15+,16-,17-,19+,23-/m1/s1

InChIKey: SAVBYHHROQZLEY-IONFRVELSA-N

Reference

Hymenosetin, a 3-decalinoyltetramic acid antibiotic from cultures of the ash dieback pathogen, Hymenoscyphus pseudoalbidus

PubChem CID: 76900285

LOTUS: LTS0267012

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NPAtlas: NPA013365

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Hymenoscyphus	Helotiaceae	Helotiales	Leotiomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 387.5200000000001

TPSA？: 90.12

MolLogP？: 4.298000000000004

Number of H-Donors: 3

Number of H-Acceptors: 4

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi