Compound: Umbelliferone
SMILES: O=c1oc2c(ccc(c2)O)cc1
InChIKey: ORHBXUUXSCNDEV-UHFFFAOYSA-N
Synonyms: Umbelliferone, 7-hydroxycoumarin, 93-35-6, 7-Hydroxy-2H-chromen-2-one, Skimmetin, Hydrangin, Skimmetine, Hydrangine, Umbelliferon, 2H-1-Benzopyran-2-one, 7-hydroxy-, 7-hydroxychromen-2-one, 60Z60NTL4G, NSC-19790, DTXSID5052626, CHEBI:27510, RefChem:6336, DTXCID9031199, 202-240-3, 7-hydroxycoumarine, 7-Hydroxy-2H-1-benzopyran-2-one, 7-Oxycoumarin, 7-hydroxy coumarin, Coumarin, 7-hydroxy-, beta-Umbelliferone, MFCD00006878, 7 HC, 7-hydroxy-coumarin, 2-Hydroxy-7H-chromen-7-one, NSC 19790, 32922-68-2, NSC19790, CHEMBL51628, 7-HC, Umbelliferone (Hydrangin, Skimmetin), 7-hydroxycumarin, 7-hydroxy-1-benzopyran-2-one, CCRIS 3591, EINECS 202-240-3, BRN 0127683, umbelliferae, UNII-60Z60NTL4G, Umbelliferone;, AI3-38054, Hydrangin;, 7-hydroxyeoumarin, 7-hydroxycournarin, Umbelliferone; 7-Hydroxy-2H-1-benzopyran-2-one; 7-Oxycoumarin; Hydrangin; Skimmetin, beta -umbelliferone, 07L, 7-Hydroxycoumarin;, 7-hydroxy-coumarine, .beta.-Umbelliferone, Umbelliferone, 99%, AURAPTENE_met001, 7-Hydroxy-2-chromenone, Coumarin derivative, 3a, 7 OH COUMARIN, Umbelliferone (Standard), Spectrum2_001962, Spectrum3_000751, 7-Hydroxy coumarin-13C, 7-hydroxy-chromen-2-one, 7-hydroxycoumarin sulphate, UMBELLIFERONE [MI], BIDD:PXR0126, SCHEMBL22018, BSPBio_002362, SPECTRUM231084, 5-18-01-00386 (Beilstein Handbook Reference), MLS002207035, BIDD:ER0671, SPBio_002083, UMBELLIFERONE [WHO-DD], MEGxp0_000814, orb1307728, orb3139263, SCHEMBL1490915, SCHEMBL1490920, SCHEMBL1490958, SCHEMBL5539713, 7-hydroxycoumarin, 14C-labeled, SCHEMBL11753772, SCHEMBL29396070, ACon1_000219, HY-N0573R, KBio3_001582, 7-Hydroxy-2H-chromen-2-one #, Umbelliferone, analytical standard, HMS1607M21, HMS2271N09, HMS3741M03, HMS5081F18, ALBB-021296, CS-D1186, HY-N0573, MSK11436, PXB99205, STR04824, BBL027620, BDBM50174558, CCG-39436, EBC-44283, s3675, STK331042, AKOS000120867, FH02253, SDCCGMLS-0066941.P001, 7-Hydroxycoumarin;Hydrangin;NSC 19790, NCGC00095801-01, NCGC00095801-02, NCGC00095801-03, NCGC00095801-07, NCGC00178691-01, NCGC00178691-02, AC-18399, AC-34707, NCI60_001646, SMR000112324, SY001924, DB-014673, H0236, NS00001324, ST50308216, EN300-18075, Umbelliferone, Vetec(TM) reagent grade, 98%, C09315, M05765, U-3000, AH-034/32464027, Q416196, BRD-K87991767-001-02-0, BRD-K87991767-001-03-8, Z57150899, F0722-0129, Umbelliferone, suitable for fluorescence indicator, >=98.0% (HPLC), InChI=1/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10, 142044-47-1
Theoretical properties:
molecular_formula: C9H6O3
molecular_weight: 162.14 g/mol
exact_mass: 162.031694049 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 0
heavy_atom_count: 12
topological_polar_surface_area: 46.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
melting_point: 230 - 232 °C
Descriptions:
pubchem: Umbelliferone is a hydroxycoumarin that is coumarin substituted by a hydroxy group ay position 7. It has a role as a fluorescent probe, a plant metabolite and a food component.
chebi: A hydroxycoumarin that is coumarin substituted by a hydroxy group ay position 7.
chembl: UMBELLIFERONE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Umbelliferone, also known as 7-hydroxycoumarin, hydrangine, skimmetine, and beta-umbelliferone, is a natural product of the coumarin family.
It absorbs ultraviolet light strongly at several wavelengths. There are some indications that this chemical is antimutagenic, it is used in sunscreens. Umbelliferone has been reported to have antioxidant properties.
It is a yellowish-white crystalline solid that has a slight solubility in hot water, but high solubility in ethanol.