Molecule

Cyanosporaside C

AlkaPlorer ID: AK030377

Synonym: None

IUPAC Name: [(2R,3S,5S,6S)-6-[[(1S,8bR)-5-chloro-7-(cyanomethyl)-1-hydroxy-1H-cyclopenta[a]inden-8b-yl]oxy]-5-hydroxy-2,3-dimethyl-4-oxooxan-3-yl] acetate

Structure

SMILES: CC(=O)O[C@]1(C)C(=O)[C@@H](O)[C@H](O[C@]23C(=CC4=C(Cl)C=C(CC#N)C=C42)C=C[C@@H]3O)O[C@@H]1C

InChI: InChI=1S/C23H22ClNO7/c1-11-22(3,31-12(2)26)20(29)19(28)21(30-11)32-23-14(4-5-18(23)27)10-15-16(23)8-13(6-7-25)9-17(15)24/h4-5,8-11,18-19,21,27-28H,6H2,1-3H3/t11-,18+,19-,21+,22+,23-/m1/s1

InChIKey: JDWXQXVZKUSNSM-NYUUDHSBSA-N

Reference

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

PubChem CID: 102195492

LOTUS: LTS0044414

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NPAtlas: NPA013770

Source

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

Properties Information

Molecule Weight: 459.8820000000002

TPSA？: 126.08

MolLogP？: 1.94228

Number of H-Donors: 2

Number of H-Acceptors: 8

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi