Molecule

FR 225659

AlkaPlorer ID: AK298628

Synonym: None

IUPAC Name: 2-[[1-[3-chloro-5-(diaminomethylideneamino)-4-hydroxy-2-[[4-hydroxy-3-(3-prop-1-en-2-ylquinolin-4-yl)benzoyl]amino]pentanoyl]-3-hydroxy-3-methylpyrrolidine-2-carbonyl]amino]-3-methylbut-2-enoic acid

Structure

SMILES: C=C(C)C1=C(C2=CC(C(O)=NC(C(=O)N3CCC(C)(O)C3C(O)=NC(C(=O)O)=C(C)C)C(Cl)C(O)CNC(=N)N)=CC=C2O)C2=CC=CC=C2N=C1

InChI: InChI=1S/C36H42ClN7O8/c1-17(2)22-15-40-23-9-7-6-8-20(23)26(22)21-14-19(10-11-24(21)45)31(47)43-29(27(37)25(46)16-41-35(38)39)33(49)44-13-12-36(5,52)30(44)32(48)42-28(18(3)4)34(50)51/h6-11,14-15,25,27,29-30,45-46,52H,1,12-13,16H2,2-5H3,(H,42,48)(H,43,47)(H,50,51)(H4,38,39,41)

InChIKey: UIKSOMFXGWTAID-UHFFFAOYSA-N

Reference

The Novel Gluconeogenesis Inhibitors FR225659 and Related Compounds that Originate from Helicomyces sp. No. 19353 I. Taxonomy, Fermentation, Isolation and Physico-chemical Properties

PubChem CID: 135415973

CAS: 491602-05-2

LOTUS: LTS0246969

COCONUT: CNP0355724.4

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Helicomyces sp.	Helicomyces	Tubeufiaceae	Tubeufiales	Dothideomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 736.2259999999999

TPSA？: 258.27

MolLogP？: 3.45197

Number of H-Donors: 9

Number of H-Acceptors: 9

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi