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Chemical structure of Rubropunctatin

GC69841

Rubropunctatin

Also known as (9aR)-3-hexanoyl-9a-methyl-6-[(E)-prop-1-enyl]furo[3,2-g]isochromene-2,9-dione

Rubropunctatin is an orange nitrogen-containing ketone pigment isolated from the extract of red yeast rice (Monascus purpureus)· Rubropunctatin has anti-inflammatory, immunosuppressive and antioxidant properties, as well as anti-tumor activity

ChemicalCAS514-67-0MW354.4FormulaC21H22O5
CAS number
514-67-0
Molecular weight
354.4
Formula
C21H22O5
InChIKey
SULYDLFVUNXAMP-WKOQKXSESA-N
Catalogue number
GC69841
Brand
GLPBIO
Computed properties PubChem CID 6452445 · XLogP 3.2 · TPSA 69.7 Ų · H-bond donors 0
XLogP
3.2
TPSA
69.7 Ų
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
26

SMILES CCCCCC(=O)C1=C2C=C3C=C(OC=C3C(=O)[C@@]2(OC1=O)C)/C=C/C

Computed descriptors from PubChem (CID 6452445), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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