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Norrubrofusarin

CAT: 0931-T81651-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T81651-01Size:5 mg
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CAS Number
3566-98-1
Bioactivity
Norrubrofusarin (Didemethylasperxanthone) is a natural compound obtained by demethylating Compound III, a metabolite of Aspergillus niger [1].
Smiles
O=C1C=C(OC2=CC=3C=C(O)C=C(O)C3C(O)=C12)C
Molecular Formula
C14H10O5
Molecular Weight
258.23
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Norrubrofusarin

Norrubrofusarin is a member of the class of benzochromenones that is 4H-benzo[g]chromen-4-one carrying a methyl group at position 2 and a hydroxy group at positions 5, 6 and 8, respectively. It has a role as a plant metabolite. It is a member of phenols, a heptaketide, a naphtho-gamma-pyrone and a benzochromenone. It is a conjugate acid of a norrubrofusarin(1-).

CAS Number3566-98-1
PubChem CID135453893
IUPAC Name4,5,6-trihydroxy-2-methylbenzo[g]chromen-8-one
Molecular FormulaC14H10O5
Molecular Weight258.23
XLogP0.4
Topological Polar Surface Area87
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Heavy Atom Count19
Formal Charge0
Complexity695
SMILES
CC1=CC(=C2C(=CC3=CC(=O)C=C(C3=C2O)O)O1)O
InChI
InChI=1S/C14H10O5/c1-6-2-9(16)13-11(19-6)4-7-3-8(15)5-10(17)12(7)14(13)18/h2-5,16-18H,1H3
InChIKey
ZJCMSTGEFBOMJO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Norrubrofusarin
CAS: 3566-98-1
CID: 135453893
Formula: C14H10O5
MW: 258.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight258.23
XLogP30.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass258.05282342
Monoisotopic Mass258.05282342
Topological Polar Surface Area87 Ų
Heavy Atom Count19
Formal Charge0
Complexity695
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
AB3524Norrubrofusarin

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