Molecule

Gymnastatin N

AlkaPlorer ID: AK105538

Synonym: None

IUPAC Name: 2-[[(2E,4E,6R)-4,6-dimethyldodeca-2,4-dienoyl]amino]-3-(4-hydroxyphenyl)propanoic acid

Structure

SMILES: CCCCCC[C@@H](C)/C=C(C)/C=C/C(O)=NC(CC1=CC=C(O)C=C1)C(=O)O

InChI: InChI=1S/C23H33NO4/c1-4-5-6-7-8-17(2)15-18(3)9-14-22(26)24-21(23(27)28)16-19-10-12-20(25)13-11-19/h9-15,17,21,25H,4-8,16H2,1-3H3,(H,24,26)(H,27,28)/b14-9+,18-15+/t17-,21?/m1/s1

InChIKey: TVFBRUKGDMJDMC-AYCBYQTHSA-N

Reference

Isolation and total synthesis of gymnastatin N, a POLO-like kinase 1 active constituent from the fungus Arachniotus punctatus

PubChem CID: 11452027

LOTUS: LTS0072419

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NPAtlas: NPA012598

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Arachniotus	Gymnoascaceae	Onygenales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 387.5200000000001

TPSA？: 90.12000000000002

MolLogP？: 5.453400000000006

Number of H-Donors: 3

Number of H-Acceptors: 3

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi