Molecule

Cyanosporaside A

AlkaPlorer ID: AK045210

Synonym: None

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

Structure

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

InChI: InChI=1S/C21H20ClNO6/c1-10-20(2,27)18(26)17(25)19(28-10)29-21-13(5-6-14(21)24)9-12-4-3-11(7-8-23)16(22)15(12)21/h3-6,9-10,14,17,19,24-25,27H,7H2,1-2H3/t10-,14+,17-,19+,20+,21+/m1/s1

InChIKey: FMQYEPDNLFRUQP-LPYYISIISA-N

Reference

Cyanosporasides A and B, Chloro- and Cyano-cyclopenta[<i>a</i>]indene Glycosides from the Marine Actinomycete “<i>Salinispora pacifica</i>”

PubChem CID: 11704413

LOTUS: LTS0067034

SuperNatural Ⅲ: SN0089798-02

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NPAtlas: NPA002562

Source

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

Properties Information

Molecule Weight: 417.84500000000014

TPSA？: 120.01

MolLogP？: 1.3714799999999996

Number of H-Donors: 3

Number of H-Acceptors: 7

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi