Molecule

(9aR)-3-hexanoyl-9a-methyl-6-[(1E)-prop-1-en-1-yl]-7H-furo[3,2-g]isoquinoline-2,9-dione

AlkaPlorer ID: AK119371

Synonym: None

IUPAC Name: (9aR)-3-(1-hydroxyhexylidene)-9a-methyl-6-[(E)-prop-1-enyl]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=CN1

InChI: InChI=1S/C21H23NO4/c1-4-6-7-9-17(23)18-16-11-13-10-14(8-5-2)22-12-15(13)19(24)21(16,3)26-20(18)25/h5,8,10-12,22H,4,6-7,9H2,1-3H3/b8-5+/t21-/m1/s1

InChIKey: OVOAWDOEFJNCGI-WKOQKXSESA-N

Reference

Azaphilones, Furanoisophthalides, and Amino Acids from the Extracts of <i>Monascus pilosus</i>-Fermented Rice (Red-Mold Rice) and Their Chemopreventive Effects

LOTUS: LTS0254698

SuperNatural Ⅲ: SN0276369-01

Source

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

Properties Information

Molecule Weight: 353.418

TPSA？: 72.47

MolLogP？: 3.2041000000000013

Number of H-Donors: 1

Number of H-Acceptors: 5

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi