Molecule

12'-O-acetylisariotin A

AlkaPlorer ID: AK080776

Synonym: None

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

Structure

SMILES: CC(=O)OCCCCCCCCC/C=C/C(O)=N[C@H]1C[C@@]2(O)C(=O)[C@H]([C@H](O)[C@@H]3O[C@@H]32)[C@H]1O

InChI: InChI=1S/C23H35NO8/c1-14(25)31-12-10-8-6-4-2-3-5-7-9-11-16(26)24-15-13-23(30)21(29)17(18(15)27)19(28)20-22(23)32-20/h9,11,15,17-20,22,27-28,30H,2-8,10,12-13H2,1H3,(H,24,26)/b11-9+/t15-,17-,18-,19-,20-,22-,23+/m0/s1

InChIKey: DAERPJXYZYHGTA-UFQSUENISA-N

Reference

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

PubChem CID: 102452706

LOTUS: LTS0135083

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NPAtlas: NPA007375

Source

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

Properties Information

Molecule Weight: 453.53200000000015

TPSA？: 149.17999999999998

MolLogP？: 1.3744999999999996

Number of H-Donors: 4

Number of H-Acceptors: 8

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi