3,7,9-TRIHYDROXY-1-METHYL-6H-DIBENZO[B,D]PYRAN-6-ONE

 
IUPAC Name: 3,7,9-trihydroxy-1-methylbenzo[c]isochromen-6-one
Molecular Formula: C₁₄H₁₀O₅
Molecular Weight: 258.226200 g/mol
Canonical SMILES: c12c3c(c(=O)oc1cc(O)cc2C)c(cc(c3)O)O
InChI: InChI=1/C14H10O5/c1-6-2-7(15)5-11-12(6)9-3-8(16)4-10(17)13(9)14(18)19-11/h2-5,15-17H,1H3 
Mol File: 641-38-3.mol
XLogP3-AA: 2.9
H-Bond Donor: 3
H-Bond Acceptor: 5
Rotatable Bond Count: 0
Tautomer Count: 147
Exact Mass: 258.052823
MonoIsotopic Mass: 258.052823
Topological Polar Surface Area: 87
Heavy Atom Count: 19
Complexity: 371
storage temp: 2-8 °C 
Classification Code: Cholinergic Agents,Cholinesterase inhibitors,Enzyme Inhibitors,Natural Product,Neurotransmitter Agents,Reproductive Effect
Index of Refraction: 1.731
Molar Refractivity: 66 cm³
Molar Volume: 165.1 cm³
Polarizability: 26.16×10^-24cm³
Surface Tension: 79.9 dyne/cm
Density: 1.563 g/cm³
Flash Point: 232.3 °C
Enthalpy of Vaporization: 90.88 kJ/mol
Boiling Point: 586.9 °C at 760 mmHg
Vapour Pressure of Alternariol (CAS NO.641-38-3): 2.26E-14 mmHg at 25 °C

Hazard Codes: T+
Risk Statements: 26/27/28 
R26/27/28: Very toxic by inhalation, in contact with skin and if swallowed.
Safety Statements: 28-36/37/39-45 
S28: After contact with skin, wash immediately with plenty of soap-suds. 
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
WGK Germany: 3
RTECS: HP8757000
HazardClass: 6.1(b)
PackingGroup: III
Poison by intraperitoneal route. An experimental teratogen. Other experimental reproductive effects. When heated to decomposition Alternariol (CAS NO.641-38-3) emits acrid smoke and fumes.

1. Alternariol (CAS NO.641-38-3) can be called 3,4,4'-Trihydroxy-6'-methyl-2-biphenylcarboxylic acid,gamma lactone ; 6H-Dibenzo(b,d)pyran-6-one, 1-methyl-3,7,9-trihydroxy-  ; AOH  .
2. Alternariol is a toxic metabolite of Alternaria fungi. It is an important contaminant in cereals and fruits.
3. Alternariol exhibits antifungal and phytotoxic activity. It is reported to inhibit Cholinesterase .