Molecule

Ustiloxin D

AlkaPlorer ID: AK061825

Synonym: None

IUPAC Name: 2-[[(3R,4S,7S,10S,11R)-3-ethyl-11,15-dihydroxy-3-methyl-10-(methylamino)-6,9-dioxo-7-propan-2-yl-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(15),12(16),13-triene-4-carbonyl]amino]acetic acid

Structure

SMILES: CC[C@@]1(C)OC2=CC(=CC=C2O)[C@@H](O)[C@H](NC)C(O)=N[C@@H](C(C)C)C(O)=N[C@@H]1C(O)=NCC(=O)O

InChI: InChI=1S/C23H34N4O8/c1-6-23(4)19(22(34)25-10-15(29)30)27-20(32)16(11(2)3)26-21(33)17(24-5)18(31)12-7-8-13(28)14(9-12)35-23/h7-9,11,16-19,24,28,31H,6,10H2,1-5H3,(H,25,34)(H,26,33)(H,27,32)(H,29,30)/t16-,17-,18+,19+,23+/m0/s1

InChIKey: GDXLZSYACWZHOC-ZNRYNLAGSA-N

Reference

Isolation and Structure of an Antimitotic Cyclic Peptide, Ustiloxin F: Chemical Interrelation with a Homologous Peptide, Ustiloxin B.

PubChem CID: 157840

LOTUS: LTS0248762

SuperNatural Ⅲ: SN0103123-01

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NPAtlas: NPA004506

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Ustilaginoidea virens	Ustilaginoidea	Clavicipitaceae	Hypocreales	Sordariomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 494.5450000000002

TPSA？: 196.79

MolLogP？: 1.9220000000000004

Number of H-Donors: 7

Number of H-Acceptors: 8

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	Tubulin	IC50	1500.0	nM	10.1016/j.bmcl.2006.06.071