Karanjin Author Singh, A. Department of Biosciences and Bioengineering, Indian Institute of Technology Guwahati, Assam, 781039, India Author Bhatt, G. Author Gujre, N. Author Mitra, S. Author Swaminathan, R. Author Limaye, A. M. Author Rangan, L. text Phytochemistry 2021 112641 2021-03-31 183 1 13 http://dx.doi.org/10.1016/j.phytochem.2020.112641 journal article 264548 10.1016/j.phytochem.2020.112641 5ca76737-bf9d-472b-87d5-6d98a5ae7f66 1873-3700 8291563

Table 1 Computed physical and chemical properties of karanjin.

Property Name	Property Value
Common Name	Karanjin
IUPAC Name	3-methoxy-2-phenylfuro [2,3-h]chromen-4-one
Canonical SMILES	COC1=C(OC2=C(C1=O)C––CC3=C2C––CO3)
	C4=CC––CC––C4
Other Name	3-methoxy furano- 2,3,7,8-flavone; 3-methoxy-2-phenyl-
4h-furo [2,3-h]chromen-4-one; 4 h-furo [2,3-h]-1-
benzopyran-4-one, 3-methoxy-2-phenyl-; 3-methoxy-2-
phenyl-furo [2,3-h]chromen-4-one
Other Identifiers	Chemical Abstracts Service (CAS): 521-88-0: European
Community Number: 208-319-9: National Service Center
(NSC) number: 335755: Unique Ingredient Identifier (UNII):
WV7IM0I02M: Distributed Structure-Searchable Toxicity
(DSSTox) Substance ID: DTXSID20200106
Category	Flavone
Molecular formula	C18H12O4
Molar mass	292.285492 Da
Monoisotopic mass	292.073547 Da
Melting point	157–159 ◦C (in the crystallized form)
Boiling Point	463.032 ◦C at 760 mm Hg
Appearance	White crystalline solid
Solubility	Bright orange solution in methanol
Density	1.36 g cm 3
Molar Volume	214.875 cm3
Molar Refractivity	81.027 cm 3
Flash Point	233.834 ◦C
H bond acceptors	4
H bond donors	0
Freely Rotating	2
Bonds
Polarizability	32.122 × 10 24 cm3
Index of Refraction	1.678
Polar Surface Area	48.67 Å2
Surface Tension	57.8 dyne cm 1
Enthalpy of	72.419 kJ mol 1
Vaporization
Vapour Pressure	0 mm Hg at 25 ◦C
Heavy Atom Count	22
Feature 3D Ring	4
Count
Feature 3D Acceptor	4
Count