Molecule

Gymnastatin E

AlkaPlorer ID: AK039605

Synonym: '', 'Gymnastatin D'

IUPAC Name: (2E,4E,6R)-N-[(1S,2R,2'S,3'S,5R,6S)-4-chloro-2',5-dihydroxyspiro[7-oxabicyclo[4.1.0]hept-3-ene-2,5'-oxolane]-3'-yl]-4,6-dimethyldodeca-2,4-dienamide

Structure

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

InChI: InChI=1S/C23H34ClNO5/c1-4-5-6-7-8-14(2)11-15(3)9-10-18(26)25-17-13-23(30-22(17)28)12-16(24)19(27)20-21(23)29-20/h9-12,14,17,19-22,27-28H,4-8,13H2,1-3H3,(H,25,26)/b10-9+,15-11+/t14-,17+,19+,20+,21+,22+,23+/m1/s1

InChIKey: XKJXLFLLICSWJK-MECFWYRWSA-N

Reference

Gymnastatins and Dankastatins, Growth Inhibitory Metabolites of a <i>Gymnascella</i> Species from a <i>Halichondria</i> Sponge

PubChem CID: 21672331

LOTUS: LTS0015168

SuperNatural Ⅲ: SN0432582-04

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Gymnascella dankaliensis	Gymnascella	Gymnoascaceae	Onygenales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 439.9800000000001

TPSA？: 94.81000000000002

MolLogP？: 4.162600000000004

Number of H-Donors: 3

Number of H-Acceptors: 5

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi