Molecule

N14-Deacetylcoprogen

AlkaPlorer ID: AK294478

Synonym: Coprogen B

IUPAC Name: [(E)-5-[hydroxy-[3-[5-[3-[hydroxy-[(E)-5-hydroxy-3-methylpent-2-enoyl]amino]propyl]-3,6-dioxopiperazin-2-yl]propyl]amino]-3-methyl-5-oxopent-3-enyl] 2-amino-5-[hydroxy-[(E)-5-hydroxy-3-methylpent-2-enoyl]amino]pentanoate

Structure

SMILES: C/C(=C\C(=O)N(O)CCCC(N)C(=O)OCC/C(C)=C/C(=O)N(O)CCCC1NC(=O)C(CCCN(O)C(=O)/C=C(\C)CCO)NC1=O)CCO

InChI: InChI=1S/C33H54N6O12/c1-22(10-16-40)19-28(42)37(48)13-4-7-25(34)33(47)51-18-12-24(3)21-30(44)39(50)15-6-9-27-32(46)35-26(31(45)36-27)8-5-14-38(49)29(43)20-23(2)11-17-41/h19-21,25-27,40-41,48-50H,4-18,34H2,1-3H3,(H,35,46)(H,36,45)/b22-19+,23-20+,24-21+

InChIKey: XRSRJBBRTCEBNS-IKVQWSBMSA-N

Reference

PubChem CID: 102315087

CAS: 12705-44-1

NPASS: NPC490542

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Stemphylium botryosum	Stemphylium	Pleosporaceae	Pleosporales	Dothideomycetes	Ascomycota	Fungi	Eukaryota
None	Acremonium	None	Hypocreales	Sordariomycetes	Ascomycota	Fungi	Eukaryota
Histoplasma capsulatum	Histoplasma	Ajellomycetaceae	Onygenales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota
Neurospora crassa	Neurospora	Sordariaceae	Sordariales	Sordariomycetes	Ascomycota	Fungi	Eukaryota
None	Myrothecium	Stachybotryaceae	Hypocreales	Sordariomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 726.8250000000002

TPSA？: 272.6

MolLogP？: -0.1720999999999922

Number of H-Donors: 8

Number of H-Acceptors: 13

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi