Angelicin information

Angelicin
Names
Pronunciation	ˈeɪn.dʒəlaɪ.sɪn
	Preferred IUPAC name 2H-Furo[2,3-h][1]benzopyran-2-one
	Other names Isopsoralen, 2H-furo[2,3-h]chromen-2-one, furo[2,3-h]chromen-2-one
Identifiers
CAS Number	523-50-2 ;
3D model (JSmol)	Interactive image;
ChEBI	CHEBI:28928 ;
ChEMBL	ChEMBL53569 ;
ChemSpider	10208 ;
ECHA InfoCard	100.164.795
KEGG	C09060 ;
PubChem CID	10658;
UNII	CZZ080D7BD ;
CompTox Dashboard (EPA)	DTXSID00200321 ;
	InChI InChI=1S/C11H6O3/c12-10-4-2-7-1-3-9-8(5-6-13-9)11(7)14-10/h1-6H Key: XDROKJSWHURZGO-UHFFFAOYSA-N ; InChI=1S/C11H6O3/c12-10-4-2-7-1-3-9-8(5-6-13-9)11(7)14-10/h1-6H;
	SMILES O=C\2Oc3c1ccoc1ccc3/C=C/2;
Properties
Chemical formula	C11H6O3
Molar mass	186.166 g·mol−1
Appearance	pale yellow crystals
Melting point	134°C
Boiling point	362.6°C
Solubility in water	10 mM in DMSO
log P	1.97
Hazards
	Occupational safety and health (OHS/OSH):
Main hazards	photosensitizer, vesicant, carcinogen
Flash point	173.1°C
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). verify (what is ?) Infobox references

Angelicin is the parent compound in a family of naturally occurring organic compounds known as the angular furanocoumarins. Structurally, it can be considered as benzapyra-2-one fused with a furan moiety in the 7,8-position. Angelicin is commonly found in certain Apiaceae and Fabaceae plant species such as Bituminaria bituminosa. It has a skin permeability coefficient (LogK_p) of -2.46.^[2] The maximum absorption is observed at 300 nm.^[3] The ¹HNMR spectrum is available;^[1] the infrared and mass spectra of angelicin can be found in this database. The sublimation of angelicin occurs at 120 °C and the pressure of 0.13 Pa.^[4] Angelicin is a coumarin.

^ ^a ^b Cite error: The named reference nmr & appearance was invoked but never defined (see the help page).
^ ^a ^b "BioByte". www.biobyte.com. Retrieved 2018-03-15.
^ Bordin, F.; Dall'Acqua, F.; Guiotto, A. (December 1991). "Angelicins, angular analogs of psoralens: chemistry, photochemical, photobiological and phototherapeutic properties". Pharmacology & Therapeutics. 52 (3): 331–363. doi:10.1016/0163-7258(91)90031-G. ISSN 0163-7258. PMID 1820581.
^ Böhme, Horst; Severin, Theodor (1957). "Optische Untersuchungen an Cumarinen Mitteilung: Die Ultraviolettabsorption einiger Cumarine pflanzlicher Herkunft". Archiv der Pharmazie. 290 (10): 486–494. doi:10.1002/ardp.19572901010. ISSN 1521-4184. PMID 13471015. S2CID 84020911.

[nmr_&_appearance-1] Cite error: The named reference nmr & appearance was invoked but never defined (see the help page).

[biobyte-2] "BioByte". www.biobyte.com. Retrieved 2018-03-15.

[3] Bordin, F.; Dall'Acqua, F.; Guiotto, A. (December 1991). "Angelicins, angular analogs of psoralens: chemistry, photochemical, photobiological and phototherapeutic properties". Pharmacology & Therapeutics. 52 (3): 331–363. doi:10.1016/0163-7258(91)90031-G. ISSN 0163-7258. PMID 1820581.

[4] Böhme, Horst; Severin, Theodor (1957). "Optische Untersuchungen an Cumarinen Mitteilung: Die Ultraviolettabsorption einiger Cumarine pflanzlicher Herkunft". Archiv der Pharmazie. 290 (10): 486–494. doi:10.1002/ardp.19572901010. ISSN 1521-4184. PMID 13471015. S2CID 84020911.

Angelicin information

and 14 Related for: Angelicin information

Angelicin

Furanocoumarin

Angelicin synthase

Cullen corylifolium

Angelica archangelica

Heracleum sosnowskyi

Psoralen

Bituminaria bituminosa

Heracleum maximum

C11H6O3

IARC group 3

Umbelliferone

Pustec

Tuminec