Compound: Scoparone
SMILES: O=c1oc2c(cc(OC)c(c2)OC)cc1
InChIKey: GUAFOGOEJLSQBT-UHFFFAOYSA-N
Synonyms: Scoparone, 120-08-1, 6,7-DIMETHOXYCOUMARIN, 6,7-Dimethylesculetin, Escoparone, 6,7-Dimethoxy-2H-chromen-2-one, Scoparon, Esculetin dimethyl ether, Aesculetin dimethyl ether, 6,7-dimethoxychromen-2-one, Scopoletin methyl ether, o-Methylscopoletin, 6,7-Dimethoxy-2H-1-benzopyran-2-one, o-Methylisoscopoletin, o,o-Dimethylesculetin, 6,7-Dimethoxy-Coumarin, 6,7-Dimethoxybenzopyran-2-one, Esculetin 6,7-dimethyl ether, H5841PDT4Y, DTXSID10152640, CHEBI:9055, RefChem:181956, DTXCID7075131, 204-369-0, 2H-1-Benzopyran-2-one, 6,7-dimethoxy-, 6,7-Dimethoxy-2-benzopyrone, Dimethyl esculetin, Coumarin, 6,7-dimethoxy-, MFCD00006871, Benzopyran-2-one, 6,7-dimethoxy-, EINECS 204-369-0, BRN 0169572, UNII-H5841PDT4Y, Escoparone;, Scoparin?, Dimethylaesculetin, Scoparone (Standard), Di-O-methyl-daphnetin, 6,7-dimethoxy coumarin, SCOPARONE [MI], Maybridge4_003009, 5-18-03-00204 (Beilstein Handbook Reference), SCHEMBL240777, 6,7-Dimethoxy-chromen-2-one, 6,7-Dimethoxycoumarin, 98%, CHEMBL325864, MEGxp0_001422, orb1305101, orb3139510, SCHEMBL8632474, 6,7-Dimethylesculetin (NIST), SCHEMBL29714063, ACon1_002079, HY-N0228R, 6,7-Dimethoxy-Benzopyran-2-one, HMS1529I17, Scoparone  (Escoparone, Scoparin), HY-N0228, BDBM50361374, CCG-41207, MSK164127, s3613, STL193280, 6,7-Dimethoxy-2H-chromen-2-one #, AKOS000277541, EBC-617647, FS32317, AC-11197, AC-34006, BS-14810, Benzopyran-2-one, 6,7-dimethoxy- (9CI), DB-041524, CS-0008271, NS00023901, ST50319943, 6,7-Dimethylesculetin, 6,7-Dimethoxycoumarin, C09311, AA-504/21114056, SR-01000631300-1, BRD-K16835051-001-01-2, BRD-K16835051-001-02-0, Q15424761
Theoretical properties:
molecular_formula: C11H10O4
molecular_weight: 206.19 g/mol
exact_mass: 206.05790880 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 2
heavy_atom_count: 15
topological_polar_surface_area: 44.8 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
melting_point: 144 °C
Descriptions:
pubchem: Scoparone is a member of the class of coumarins that is esculetin in which the two hydroxy groups at positions 6 and 7 are replaced by methoxy groups. It is a major constituent of the Chinese herbal medicine Yin Chen Hao, and exhibits a variety of pharmacological activities such as anti-inflammatory, anti-allergic, and anti-tumor activities. It has a role as an antihypertensive agent, an antilipemic drug, an immunosuppressive agent, an anti-allergic agent, an anti-inflammatory agent and a plant metabolite. It is a member of coumarins and an aromatic ether. It is functionally related to an esculetin.
chebi: A member of the class of coumarins that is esculetin in which the two hydroxy groups at positions 6 and 7 are replaced by methoxy groups. It is a major constituent of the Chinese herbal medicine Yin Chen Hao, and exhibits a variety of pharmacological activities such as anti-inflammatory, anti-allergic, and anti-tumor activities.
chembl: SCOPARONE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Scoparone is a natural organic compound with the molecular formula C11H10O4.  It is found in the Chinese herb Artemisia scoparia and has been studied for its potential pharmacological properties including immunosuppression and vasorelaxation.