Molecule

9a-methyl-3-octanoyl-6-(prop-1-en-1-yl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2H,7H,9H,9aH-furo[3,2-g]isoquinoline-2,9-dione

AlkaPlorer ID: AK075659

Synonym: None

IUPAC Name: (9aR)-9a-methyl-3-octanoyl-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)CCCCCCC)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/C29H37NO9/c1-4-6-7-8-9-11-20(32)22-19-13-16-12-17(10-5-2)30(14-18(16)26(36)29(19,3)39-28(22)37)27-25(35)24(34)23(33)21(15-31)38-27/h5,10,12-14,21,23-25,27,31,33-35H,4,6-9,11,15H2,1-3H3/b10-5+/t21-,23-,24+,25-,27?,29-/m1/s1

InChIKey: PVGVJRPGIMWEKM-IQGKOCHUSA-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: 101713083

LOTUS: LTS0080101

Source

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

Properties Information

Molecule Weight: 543.6130000000003

TPSA？: 153.83

MolLogP？: 1.496599999999999

Number of H-Donors: 4

Number of H-Acceptors: 10

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi