Molecule

Dimerumic acid

AlkaPlorer ID: AK296530

Synonym: Dimerum acid

IUPAC Name: (E)-N,5-dihydroxy-N-[3-[5-[3-[hydroxy-[(E)-5-hydroxy-3-methylpent-2-enoyl]amino]propyl]-3,6-dioxopiperazin-2-yl]propyl]-3-methylpent-2-enamide

Structure

SMILES: C/C(=C\C(=O)N(O)CCCC1N=C(O)C(CCCN(O)C(=O)/C=C(\C)CCO)N=C1O)CCO

InChI: InChI=1S/C22H36N4O8/c1-15(7-11-27)13-19(29)25(33)9-3-5-17-21(31)24-18(22(32)23-17)6-4-10-26(34)20(30)14-16(2)8-12-28/h13-14,17-18,27-28,33-34H,3-12H2,1-2H3,(H,23,32)(H,24,31)/b15-13+,16-14+

InChIKey: MKDKGLNKTMDNHY-WXUKJITCSA-N

Reference

Dimerumic acid as an antioxidant of the mold, Monascus Anka

PubChem CID: 6443767

CAS: 26912-16-3

LOTUS: LTS0010741

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NPAtlas: NPA033329

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Metarhizium robertsii	Metarhizium	Clavicipitaceae	Hypocreales	Sordariomycetes	Ascomycota	Fungi	Eukaryota
None	Monascus	Fellodistomidae	Strigeidida	Trematoda	Platyhelminthes	Metazoa	Eukaryota
Talaromyces sp.	Talaromyces	Trichocomaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota
None	Acremonium	None	Hypocreales	Sordariomycetes	Ascomycota	Fungi	Eukaryota
Fusarium dimerum	Fusarium	Nectriaceae	Hypocreales	Sordariomycetes	Ascomycota	Fungi	Eukaryota
Histoplasma capsulatum	Histoplasma	Ajellomycetaceae	Onygenales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota
Penicillium chrysogenum	Penicillium	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 484.5500000000003

TPSA？: 186.72

MolLogP？: 1.303600000000001

Number of H-Donors: 6

Number of H-Acceptors: 8

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi