Compound: Osthole
SMILES: O=c1oc2c(ccc(c2CC=C(C)C)OC)cc1
InChIKey: MBRLOUHOWLUMFF-UHFFFAOYSA-N
Synonyms: Osthole, Osthol, 484-12-8, Ostole, Ostol, 2H-1-Benzopyran-2-one, 7-methoxy-8-(3-methyl-2-butenyl)-, 7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one, 7-Methoxy-8-isopentenylcoumarin, 8-(3-Methyl-2-butenyl)herniarin, 7-METHOXY-8-(3-METHYL-2-BUTENYL)-COUMARIN, XH1TI1759C, DTXSID20197507, NSC-31868, 7-METHOXY-8-(3-METHYLBUT-2-ENYL)-2-CHROMENONE, RefChem:43616, 7-methoxy-8-(3-methylpent-2-enyl)coumarin, DTXCID90119998, 610-421-7, 7-methoxy-8-(3-methylbut-2-en-1-yl)-2H-chromen-2-one, 7-methoxy-8-(3-methyl-2-buten-1-yl)-2H-chromen-2-one, 7-methoxy-8-(3-methyl-2-butenyl)coumarin, MFCD00076049, NSC 31868, Coumarin, 7-methoxy-8-(3-methyl-2-butenyl)-, CHEMBL52229, NSC31868, SMR000156202, UNII-XH1TI1759C, Osthole CRS, Osthole (Osthol), A0O, 7-Methoxy-8-(3-methyl-but-2-enyl)-chromen-2-one, Osthole (Standard), 7-methoxy-8-(3-methyl-2-butenyl)-2h-1-benzopyran-2-one, Spectrum_001542, SpecPlus_000946, OSTHOLE [MI], Spectrum2_000723, Spectrum3_001645, Spectrum4_001687, Spectrum5_000334, 7-Methoxy-8-prenylcoumarin, Osthole, analytical standard, Oprea1_642606, Oprea1_873803, SCHEMBL50436, BSPBio_003369, KBioGR_001954, KBioSS_002022, MLS000574904, MLS001048988, MLS006011425, DivK1c_007042, SPECTRUM1504165, SPBio_000646, MEGxp0_000155, orb1304936, orb3140606, SCHEMBL29595542, ACon1_002155, CHEBI:69832, GTPL10302, HSDB 8479, HY-N0054R, KBio1_001986, KBio2_002022, KBio2_004590, KBio2_007158, KBio3_002589, HMS2267O21, HMS3656A07, HMS5080L12, HY-N0054, BBL013019, BDBM50240512, CCG-40172, EBC-11083, MSK156874, s2337, STK396321, AKOS000277663, AC-8041, DS-0881, FO09975, SDCCGMLS-0066780.P001, NCGC00095694-01, NCGC00095694-02, NCGC00095694-03, NCGC00095694-05, NCGC00095694-06, WLN: T66 BOVJ IO1 J2UY1&1, NS00031794, O0426, ST50909221, SW219438-1, C09280, AM-721/20651007, F077928, Osthole, primary pharmaceutical reference standard, SR-01000721624, Q4338679, SR-01000721624-4, BRD-K78294846-001-03-3, BRD-K78294846-001-12-4, 7-Methoxy-8-(3-methyl-2-butenyl)-2H-chromen-2-one #, Osthole, European Pharmacopoeia (EP) Reference Standard, 7-methoxy-8-(3'-methyl-2'-butenyl)-2H-1-benzopyran-2-one, 7-Methoxy-8-(3-methyl-2-buten-1-yl)-2H-1-benzopyran-2-one, 7-Methoxy-8-(3-methylbut-2-en-1-yl)-2H-1-benzopyran-2-one, 1440642-68-1, InChI=1/C15H16O3/c1-10(2)4-7-12-13(17-3)8-5-11-6-9-14(16)18-15(11)12/h4-6,8-9H,7H2,1-3H
Theoretical properties:
molecular_formula: C15H16O3
molecular_weight: 244.28 g/mol
exact_mass: 244.109944368 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 3
heavy_atom_count: 18
topological_polar_surface_area: 35.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Colorless needle like crystals
color: Colorless needle like crystals
melting_point: 83-84 °C
solubility: In water, 12.0 mg/L at 30 °C
Descriptions:
pubchem: Osthole is a natural product found in Peucedanum ostruthium and Angelica pubescens. It has a role as a metabolite. It is a member of coumarins and a botanical anti-fungal agent.
chebi: A natural product found in <em>Peucedanum ostruthium</em> and <em>Angelica pubescens</em>.
chembl: OSTHOLE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Cnidium monnieri (L.) Cusson ex Juss., Monnier's snowparsley, is a flowering plant species in the genus Cnidium. Also known as Shechuangzi, Osthole, Jashoshi, Cnidii Fructus (Fruits of Cnidium).
It may be confused with Bacopa monnieri, Ligusticum officinale (syn. Cnidium officinale), both similar but different plants.
The coumarins osthol, imperatorin and xanthotoxol can be found in C. monnieri.