Compound: Psoralen
SMILES: O=c1oc2c(cc3ccoc3c2)cc1
InChIKey: ZCCUUQDIBDJBTK-UHFFFAOYSA-N
Synonyms: Psoralen, 66-97-7, Ficusin, 7H-Furo[3,2-g]chromen-7-one, Furocoumarin, Psoralene, 7H-Furo[3,2-g][1]benzopyran-7-one, Psorline-P, 6,7-Furanocoumarin, Furo(3,2-g)-coumarin, Furo(2',3',7,6)coumarin, Furo(4',5',6,7)coumarin, Furo[4',5':6,7]coumarin, 7H-Furo(3,2-g)(1)benzopyran-7-one, Manaderm, Furo[2',3':7,6]coumarin, KTZ7ZCN2EX, 6-Hydroxy-5-benzofuranacrylic acid beta-lactone, NSC-404562, 5-Benzofuranacrylic acid, 6-hydroxy-, delta-lactone, DTXSID00216205, 6-hydroxy-5-benzofuranacrylic acid delta-lactone, CHEBI:27616, 2H-furo[3,2-g]chromen-2-one, 2-Propenoic acid, 3-(6-hydroxy-5-benzofuranyl)-, delta-lactone, 6-hydroxy-5-benzofuranacrylic acid gamma-lactone, 3-(6-hydroxy-5-benzofuranyl)-2-propenoic acid delta-lactone, furo(2',3':7,6)coumarin, furo(4',5':6,7)coumarin, 2H-Furo(3,2-g)chromen-2-one, 7H-Furo(3,2-g)chromen-7-one, RefChem:47345, DTXCID60138696, 6-hydroxy-5-benzofuranacrylic Acid deta-lacton, 200-639-7, NSC217989, furo[3,2-g]chromen-7-one, C11H6O3, MFCD00010520, Furo[3,2-g]coumarin, NSC 404562, 7H-Furo[3,2-g]benzopyran-7-one, Furo[2'.3':7.6]coumarin, furano[3,2-g]chromen-2-one, CHEMBL164660, TNP00293, Psoralen (Ficusin), CCRIS 4343, HSDB 3528, UNII-KTZ7ZCN2EX, EINECS 200-639-7, BRN 0152784, Ficusin;, Psoralene (DCF), Manaderm (TN), Psoralen (Standard), Psoralen, 97%, Furo[4',7]coumarin, PHYTOALEXIN-CMPD, PSORALEN [HSDB], PSORALEN [MI], PSORALEN [USP-RS], PSORALEN [WHO-DD], Oprea1_841692, SCHEMBL17835, Psoralen, analytical standard, 5-19-04-00445 (Beilstein Handbook Reference), MLS001304059, MEGxp0_001172, orb1304818, orb3140046, Psoralen, >=99% (HPLC), SCHEMBL29503678, ACon1_001579, HY-N0053R, pyrano[5,6-f]benzofuran-7-one, HMS2267L05, HMS5083B04, HY-N0053, 7H-Furo[3,2-g]chromen-7-one #, BDBM50331544, EBC-44175, NSC404562, s4737, STL564822, AKOS004110987, AC-7968, CCG-266472, CS-3756, FP15273, NCGC00017351-01, NCGC00017351-02, NCGC00017351-03, NCGC00017351-07, NCGC00142529-01, AS-59034, SMR000112587, ST057250, SY076773, NS00015842, P2077, 7H-Furo[3,2-g][1]benzopyran-7-one, 9CI, C09305, D08450, AA-504/20833002, AJ-738/21166005, F235532, Q417788, BRD-K47264279-001-01-4, BRD-K47264279-001-08-9, 5-Benzofuranacrylic acid, 6-hydroxy-, .delta.-lactone, Z1201617131, 6-HYDROXY-5-BENZOFURANACRYLIC ACID .DELTA.-LACTONE, 2-Propenoic acid, 3-(6-hydroxy-5-benzofuranyl)-, .delta.-lactone, InChI=1/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6
Theoretical properties:
molecular_formula: C11H6O3
molecular_weight: 186.16 g/mol
exact_mass: 186.031694049 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 0
heavy_atom_count: 14
topological_polar_surface_area: 39.4 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Crystals from ether
color: Crystals from ether
boiling_point: 362.00 to 363.00 °C. @ 760.00 mm Hg
melting_point: 171 °C
solubility: In water, 65.16 mg/L at 25 °C
Descriptions:
pubchem: Psoralen is the simplest member of the class of psoralens that is 7H-furo[3,2-g]chromene having a keto group at position 7. It has been found in plants like Psoralea corylifolia and Ficus salicifolia. It has a role as a plant metabolite.
chebi: The simplest member of the class of psoralens that is 7<em>H</em>-furo[3,2-<em>g</em>]chromene having a keto group at position 7. It has been found in plants like  <em>Psoralea corylifolia</em> and <em>Ficus salicifolia</em>.
chembl: PSORALEN is a small molecule listed in the ChEMBL database and has reached clinical trial phase 1.0.
wikipedia: Psoralen (also called psoralene) is the parent compound in a family of naturally occurring organic compounds known as the linear furanocoumarins. It is structurally related to coumarin by the addition of a fused furan ring, and may be considered as a derivative of umbelliferone. Psoralen occurs naturally in the seeds of Psoralea corylifolia, as well as in the common fig, celery, parsley, West Indian satinwood, and in all citrus fruits. It is widely used in PUVA (psoralen + UVA) treatment for psoriasis, eczema,  vitiligo, and cutaneous T-cell lymphoma; these applications are typically through the use of medications such as Methoxsalen.  Many furanocoumarins are extremely toxic to fish, and some are deposited in streams in Indonesia to catch fish.