Molecule

Gymnastatin R

AlkaPlorer ID: AK068164

Synonym: None

IUPAC Name: (2E,4E,6R)-N-[(1R,2S,3S,5R)-1,7-dichloro-2,5-dihydroxy-8-oxo-3-bicyclo[3.3.1]non-6-enyl]-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(O)C=C(Cl)C(=O)[C@@](Cl)(C2)[C@H]1O

InChI: InChI=1S/C23H33Cl2NO4/c1-4-5-6-7-8-15(2)11-16(3)9-10-19(27)26-18-13-22(30)12-17(24)20(28)23(25,14-22)21(18)29/h9-12,15,18,21,29-30H,4-8,13-14H2,1-3H3,(H,26,27)/b10-9+,16-11+/t15-,18+,21+,22-,23+/m1/s1

InChIKey: WDCSNVYLZCMUNB-WFXSWVRYSA-N

Reference

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

PubChem CID: 24854449

LOTUS: LTS0227107

NPASS: NPC96425

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NPAtlas: NPA007776

Source

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

Properties Information

Molecule Weight: 458.4260000000001

TPSA？: 86.63000000000001

MolLogP？: 4.149000000000004

Number of H-Donors: 3

Number of H-Acceptors: 4

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Mus musculus	P388	ED50	2.8	ug ml-1	10.1021/np070529a