Molecule

N-Glucosylrubropunctamine

AlkaPlorer ID: AK410606

Synonym: None

IUPAC Name: (9aR)-3-hexanoyl-9a-methyl-6-[(E)-prop-1-enyl]-7-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]furo[3,2-g]isoquinoline-2,9-dione

Structure

SMILES: C/C=C/C1=CC2=CC3=C(C(=O)CCCCC)C(=O)O[C@@]3(C)C(=O)C2=CN1C1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

InChI: InChI=1S/C27H33NO9/c1-4-6-7-9-18(30)20-17-11-14-10-15(8-5-2)28(12-16(14)24(34)27(17,3)37-26(20)35)25-23(33)22(32)21(31)19(13-29)36-25/h5,8,10-12,19,21-23,25,29,31-33H,4,6-7,9,13H2,1-3H3/b8-5+/t19-,21-,22+,23-,25?,27-/m1/s1

InChIKey: IIBUEQHHHKZBET-COLOBQDGSA-N

Reference

Production and Identification of N-Glucosylrubropunctamine and N-Glucosylmonascorubramine from Monascus ruber and Occurrence of Electron Donor-Acceptor Complexes in These Red Pigments

PubChem CID: 101713082

LOTUS: LTS0056472

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Monascus ruber	Monascus	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 515.5590000000002

TPSA？: 153.83

MolLogP？: 0.716399999999999

Number of H-Donors: 4

Number of H-Acceptors: 10

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi