1.0 2010-04-08 22:04:47 UTC 2025-11-18 22:26:47 UTC FDB000963 Herniarin 7-Methoxycoumarin or Herniarin, also known as ayapanin is a methoxy derivative of coumarin or a methyl derivative of umbelliferone. It belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one). 7-Methoxycoumarin is a neutral, hydrophobic molecule that is not soluble in water. It exists as a white to pale yellow powder. It has a pleasant balsamic, sweet or tonka taste/odor. 7-Methoxycoumarin is used as a scent or aroma agent in perfumes, lotions, facial moisturizers, hand creams, hair conditioners, household aerosols, lip balms and baby oils. 7-Methoxycoumarin occurs naturally in many plants and foods and has been detected, but not quantified in, several different plants, such as barley, tarragons, roman camomiles, fruits, and wild celeries. This could make 7-methoxycoumarin a potential biomarker for the consumption of these foods. 2H-1-Benzopyran-2-one, 7-methoxy- 7-(methyloxy)-2H-chromen-2-one 7-Methoxy-2H-1-benzopyran-2-one 7-Methoxy-2H-1-benzopyran-2-one, 9CI 7-Methoxy-2H-chromen-2-one 7-Methoxy-coumarin 7-Methoxycoumarin 7-METHOXYCOURMARIN 7-Methyl ether derivative of Umbelliferone Ayapanin Coumarin, 7-methoxy- Coumarin, 7-methoxy- (8CI) Herniarin Herniarin (6CI) Herniarine METHOXYCOURMARIN, 7- Methyl umbelliferyl ether Methylumbelliferone Umbelliferone methyl ether C10H8O3 176.171 176.047344118 7-methoxy-2H-chromen-2-one methylumbelliferone 531-59-9 COC1=CC2=C(C=CC(=O)O2)C=C1 InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3 LIIALPBMIOVAHH-UHFFFAOYSA-N belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one). Coumarins and derivatives Organic compounds Phenylpropanoids and polyketides Coumarins and derivatives Aromatic heteropolycyclic compounds 1-benzopyrans Alkyl aryl ethers Anisoles Heteroaromatic compounds Hydrocarbon derivatives Lactones Organic oxides Oxacyclic compounds Pyranones and derivatives 1-benzopyran Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Coumarin Ether Heteroaromatic compound Hydrocarbon derivative Lactone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pyran Pyranone coumarins coumarins logp 1.88 ALOGPS logs -2.55 ALOGPS solubility 4.99e-01 g/l ALOGPS melting_point Mp 117-118° logp 1.63 ChemAxon pka_strongest_basic -4.8 ChemAxon iupac 7-methoxy-2H-chromen-2-one ChemAxon average_mass 176.171 ChemAxon mono_mass 176.047344118 ChemAxon smiles COC1=CC2=C(C=CC(=O)O2)C=C1 ChemAxon formula C10H8O3 ChemAxon inchi InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3 ChemAxon inchikey LIIALPBMIOVAHH-UHFFFAOYSA-N ChemAxon polar_surface_area 35.53 ChemAxon refractivity 48.01 ChemAxon polarizability 17.43 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 3896 Specdb::NmrOneD 4171 Specdb::EiMs 1881 Specdb::CMs 5691 Specdb::CMs 26939 Specdb::CMs 27713 Specdb::CMs 100463 Specdb::CMs 100464 Specdb::CMs 174261 Specdb::MsIr 3697 Specdb::MsIr 3698 Specdb::MsMs 102108 Specdb::MsMs 102109 Specdb::MsMs 102110 Specdb::MsMs 167841 Specdb::MsMs 167842 Specdb::MsMs 167843 Specdb::MsMs 374121 Specdb::MsMs 374640 Specdb::MsMs 451268 Specdb::MsMs 452060 Specdb::MsMs 1471206 Specdb::MsMs 1471207 Specdb::MsMs 1471208 Specdb::MsMs 1471259 Specdb::MsMs 1471260 Specdb::MsMs 1471261 Specdb::MsMs 2244348 Specdb::MsMs 2245770 Specdb::MsMs 2248484 Specdb::MsMs 2249913 Specdb::MsMs 2250449 Specdb::MsMs 2251911 Specdb::MsMs 2700682 Specdb::MsMs 2700683 Specdb::MsMs 2700684 HMDB29758 5679 #<Reference:0x000055ce30f7d218> Barley Type 1 specific Hordeum vulgare 4513 Caraway Type 1 specific Carum carvi 48032 Fruits Unknown generic German camomile Type 1 specific Matricaria recutita 127986 Roman camomile Type 1 specific Chamaemelum nobile 99037 Tarragon Type 1 specific Artemisia dracunculus 72341 Wild celery Type 1 specific Apium graveolens 4045 balsam balsamic sweet tonka Aldose reductase inhibitor 40 An EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor that interferes with the action of aldehyde reductase (EC 1.1.1.21). Allergenic 43 A chemical compound which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy. Anti bacterial 145 A substance that kills or slows the growth of bacteria. Anti-allergic 103 A drug used to treat allergic reactions. Anti-spasmodic 619 Any substance introduced into a living organism with therapeutic or diagnostic purpose. Anti-staphylococcic 627 A substance that kills or slows the growth of bacteria. Candidicide 756 Cholagogue 800 Fungicide 940 A substance used to destroy fungal pests. Hepatoprotective 981 Any compound that is able to prevent damage to the liver. Pesticide 1210 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. Photoactive 1218