Molecule

1-epi-isariotin A

AlkaPlorer ID: AK035535

Synonym: None

IUPAC Name: (E)-12-hydroxy-N-[(1S,2S,4S,5S,6S,7S,8S)-1,5,7-trihydroxy-10-oxo-3-oxatricyclo[4.3.1.02,4]decan-8-yl]dodec-2-enamide

Structure

SMILES: O=C1[C@@H]2[C@H](O)[C@@H]3O[C@@H]3[C@@]1(O)C[C@H](N=C(O)/C=C/CCCCCCCCCO)[C@H]2O

InChI: InChI=1S/C21H33NO7/c23-11-9-7-5-3-1-2-4-6-8-10-14(24)22-13-12-21(28)19(27)15(16(13)25)17(26)18-20(21)29-18/h8,10,13,15-18,20,23,25-26,28H,1-7,9,11-12H2,(H,22,24)/b10-8+/t13-,15-,16+,17-,18-,20-,21+/m0/s1

InChIKey: XLHWNLUVIQKZKV-MXJJYYFHSA-N

Reference

Highly oxidized ergosterols and isariotin analogs from an entomopathogenic fungus, Gibellula formosana, cultivated in the presence of epigenetic modifying agents

PubChem CID: 102452707

LOTUS: LTS0083997

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NPAtlas: NPA010300

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Formosana	Clausiliidae	Stylommatophora	Gastropoda	Mollusca	Metazoa	Eukaryota

Properties Information

Molecule Weight: 411.4950000000004

TPSA？: 143.11

MolLogP？: 0.8036999999999987

Number of H-Donors: 5

Number of H-Acceptors: 7

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi