Molecule

Ustiloxin F

AlkaPlorer ID: AK021252

Synonym: None

IUPAC Name: 2-[[(3R,4S,7S,10S,11R)-3-ethyl-11,15-dihydroxy-3,7-dimethyl-10-(methylamino)-6,9-dioxo-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(O)=N[C@@H]1C(O)=NCC(=O)O

InChI: InChI=1S/C21H30N4O8/c1-5-21(3)17(20(32)23-9-14(27)28)25-18(30)10(2)24-19(31)15(22-4)16(29)11-6-7-12(26)13(8-11)33-21/h6-8,10,15-17,22,26,29H,5,9H2,1-4H3,(H,23,32)(H,24,31)(H,25,30)(H,27,28)/t10-,15-,16+,17+,21+/m0/s1

InChIKey: XAJYTGHEDODUTC-KILRJQPKSA-N

Reference

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

PubChem CID: 10367264

LOTUS: LTS0266024

SuperNatural Ⅲ: SN0424854-01

{

NPAtlas: NPA011795

Source

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

Properties Information

Molecule Weight: 466.4910000000002

TPSA？: 196.79

MolLogP？: 1.2859000000000005

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	8200.0	nM	10.1016/j.bmcl.2006.06.071