Molecule

FR 225659; 3''-Deoxy

AlkaPlorer ID: AK075873

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-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)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/C36H42ClN7O7/c1-17(2)23-15-40-24-9-7-6-8-21(24)27(23)22-14-20(10-11-25(22)45)32(47)43-30(28(37)26(46)16-41-36(38)39)34(49)44-13-12-19(5)31(44)33(48)42-29(18(3)4)35(50)51/h6-11,14-15,19,26,28,30-31,45-46H,1,12-13,16H2,2-5H3,(H,42,48)(H,43,47)(H,50,51)(H4,38,39,41)

InChIKey: ANYWIYLMLRVZRB-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: 135466919

LOTUS: LTS0106776

COCONUT: CNP0116753

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NPAtlas: NPA006578

Source

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

Properties Information

Molecule Weight: 720.2270000000001

TPSA？: 238.04

MolLogP？: 4.337070000000002

Number of H-Donors: 8

Number of H-Acceptors: 8

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi