Monascorubramine; N-(1R,3-Dicarboxypropyl)
AlkaPlorer ID: AK063386
Synonym: N-Glutarylmonascorubramine
IUPAC Name: 2-(9a-methyl-3-octanoyl-2,9-dioxo-6-prop-1-enylfuro[3,2-g]isoquinolin-7-yl)pentanedioic acid
Structure
SMILES: CC=CC1=CC2=CC3=C(C(=O)CCCCCCC)C(=O)OC3(C)C(=O)C2=CN1C(CCC(=O)O)C(=O)O
InChI: InChI=1S/C28H33NO8/c1-4-6-7-8-9-11-22(30)24-20-15-17-14-18(10-5-2)29(21(26(34)35)12-13-23(31)32)16-19(17)25(33)28(20,3)37-27(24)36/h5,10,14-16,21H,4,6-9,11-13H2,1-3H3,(H,31,32)(H,34,35)
InChIKey: WUAIFCBBVBFFFG-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Monascus ruber | Monascus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 511.57100000000025
TPSA？: 138.28
MolLogP？: 4.014700000000001
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|