Molecule

Cyanosporaside F

AlkaPlorer ID: AK046655

Synonym: None

IUPAC Name: N-[2-[(2S,3R,5S,6R)-2-[[(1S,8bR)-8-chloro-7-(cyanomethyl)-8b-hydroxy-1H-cyclopenta[a]inden-1-yl]oxy]-5-hydroxy-6-methyloxan-3-yl]sulfanylethyl]acetamide

Structure

SMILES: CC(O)=NCCS[C@@H]1C[C@H](O)[C@@H](C)O[C@H]1O[C@H]1C=CC2=CC3=CC=C(CC#N)C(Cl)=C3[C@]21O

InChI: InChI=1S/C24H27ClN2O5S/c1-13-18(29)12-19(33-10-9-27-14(2)28)23(31-13)32-20-6-5-17-11-16-4-3-15(7-8-26)22(25)21(16)24(17,20)30/h3-6,11,13,18-20,23,29-30H,7,9-10,12H2,1-2H3,(H,27,28)/t13-,18+,19-,20+,23+,24+/m1/s1

InChIKey: VDEAAOROPYVPJO-LSMMOFIXSA-N

Reference

Structures and Comparative Characterization of Biosynthetic Gene Clusters for Cyanosporasides, Enediyne-Derived Natural Products from Marine Actinomycetes

PubChem CID: 102195495

LOTUS: LTS0265396

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NPAtlas: NPA019868

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Pacifica	Velutinidae	Littorinimorpha	Gastropoda	Mollusca	Metazoa	Eukaryota

Properties Information

Molecule Weight: 491.0090000000003

TPSA？: 115.30000000000004

MolLogP？: 3.519680000000004

Number of H-Donors: 3

Number of H-Acceptors: 7

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi