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Monascorubrin

CAT: 1596-AR-M02198-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-M02198-02Size:25 Units
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CAS Number
13283-90-4
Synonyms
(R, E) -9a-methyl-3-octanoyl-6- (prop-1-en-1-yl) -2H-furo[3,2-g]isochromene-2,9 (9aH) -dione; Monascorubrin
Molecular Formula
C21H26O5
Molecular Weight
382.46
API Name
Monascorubramin

Chemical Information

Monascorubrin

Monascorubrin is a bulgarialactone azaphilone compound found in Monascus pilosus used as an orange food colourant for biscuits or ice-cream. It has a role as a biological pigment, an antineoplastic agent, a Hsp90 inhibitor, an anti-inflammatory agent, a fungal metabolite and a food colouring. It is a triketone, a polyketide, a gamma-lactone, an azaphilone and an enone.

CAS Number13283-90-4
PubChem CID12118084
IUPAC Name(9aR)-9a-methyl-3-octanoyl-6-[(E)-prop-1-enyl]furo[3,2-g]isochromene-2,9-dione
Molecular FormulaC23H26O5
Molecular Weight382.4
XLogP4.3
Topological Polar Surface Area69.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count28
Formal Charge0
Complexity865
SMILES
CCCCCCCC(=O)C1=C2C=C3C=C(OC=C3C(=O)[C@@]2(OC1=O)C)/C=C/C
InChI
InChI=1S/C23H26O5/c1-4-6-7-8-9-11-19(24)20-18-13-15-12-16(10-5-2)27-14-17(15)21(25)23(18,3)28-22(20)26/h5,10,12-14H,4,6-9,11H2,1-3H3/b10-5+/t23-/m1/s1
InChIKey
IIPVSGPTPPURBD-HAOIVFDCSA-N
Chemical Structure
2D Structure
2D structure of Monascorubrin
CAS: 13283-90-4
CID: 12118084
Formula: C23H26O5
MW: 382.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight382.4
XLogP34.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass382.17802393
Monoisotopic Mass382.17802393
Topological Polar Surface Area69.7 Ų
Heavy Atom Count28
Formal Charge0
Complexity865
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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