{"id":6110,"npaid":"NPA006110","original_name":"Psoracorylifol A","mol_formula":"C18H24O3","mol_weight":"288.3870","exact_mass":"288.1725","inchikey":"VLFQGDGCZKMBDA-WNRNVDISSA-N","smiles":"CC(=C)[C@@H]1CC[C@@]([C@H](O1)[C@H](C2=CC=C(C=C2)O)O)(C)C=C","cluster_id":2899,"node_id":2227,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C18H24O3/c1-5-18(4)11-10-15(12(2)3)21-17(18)16(20)13-6-8-14(19)9-7-13/h5-9,15-17,19-20H,1-2,10-11H2,3-4H3/t15-,16-,17+,18+/m0/s1","m_plus_h":"289.1798","m_plus_na":"311.1617","origin_reference":{"doi":"10.1016/j.tet.2005.12.041","pmid":null,"authors":"Yin, Sheng; Fan, Cheng-Qi; Dong, Lei; Yue, Jian-Min","title":"Psoracorylifols A-E, five novel compounds with activity against Helicobacter pylori from seeds of Psoralea corylifolia","journal":"Tetrahedron","year":2006,"volume":"62","issue":"11","pages":"2569-2575"},"origin_organism":{"id":858,"type":"Bacterium","genus":"Helicobacter","species":"pylori","taxon":{"id":202,"name":"Helicobacter","rank":"genus","taxon_db":"lpsn","external_id":"515784","ncbi_id":209,"ancestors":[{"id":1,"name":"Bacteria","rank":"domain","taxon_db":"lpsn","external_id":"0","ncbi_id":2},{"id":2,"name":"Proteobacteria","rank":"phylum","taxon_db":"lpsn","external_id":"0","ncbi_id":1224},{"id":199,"name":"Epsilonproteobacteria","rank":"class","taxon_db":"lpsn","external_id":"0","ncbi_id":29547},{"id":200,"name":"Campylobacterales","rank":"order","taxon_db":"lpsn","external_id":"0","ncbi_id":213849},{"id":201,"name":"Helicobacteraceae","rank":"family","taxon_db":"lpsn","external_id":"0","ncbi_id":72293}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1016/j.tet.2005.12.041","structure_smiles":"CC(=C)[C@@H]1CC[C@@]([C@H](O1)[C@H](C2=CC=C(C=C2)O)O)(C)C=C","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"npmrd","external_db_code":"NP0029615"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000134","name":"Phenols","chemont_id":"CHEMONTID:0000134","description":"Compounds containing a phenol moiety, which is a benzene bearing a hydroxyl group."},"smiles":"CC(=C)[C@@H]1CC[C@@](C)(C=C)[C@H](O1)[C@@H](O)C1=CC=C(O)C=C1","kingdom":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000000","name":"Organic compounds","chemont_id":"CHEMONTID:0000000","description":"Compounds that contain at least one carbon atom, excluding isocyanide/cyanide and their non-hydrocarbyl derivatives, thiophosgene, carbon diselenide, carbon monosulfide, carbon disulfide, carbon subsulfide, carbon monoxide, carbon dioxide, Carbon suboxide, and dicarbon monoxide."},"inchikey":"InChIKey=VLFQGDGCZKMBDA-WNRNVDISSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004646","name":"1-hydroxy-2-unsubstituted benzenoids","chemont_id":"CHEMONTID:0004646","description":"Phenols that a unsubstituted at the 2-position."},"ancestors":["1-hydroxy-2-unsubstituted benzenoids","Alcohols and polyols","Aromatic alcohols","Benzene and substituted derivatives","Benzenoids","Chemical entities","Dialkyl ethers","Ethers","Hydrocarbon derivatives","Organic compounds","Organic oxygen compounds","Organoheterocyclic compounds","Organooxygen compounds","Oxacyclic compounds","Oxanes","Phenols","Secondary alcohols"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002448","name":"Benzenoids","chemont_id":"CHEMONTID:0002448","description":"Aromatic compounds containing one or more benzene rings."},"description":"This compound belongs to the class of organic compounds known as 1-hydroxy-2-unsubstituted benzenoids. These are phenols that a unsubstituted at the 2-position.","substituents":["1-hydroxy-2-unsubstituted benzenoid","Oxane","Monocyclic benzene moiety","Secondary alcohol","Oxacycle","Organoheterocyclic compound","Ether","Dialkyl ether","Organic oxygen compound","Hydrocarbon derivative","Aromatic alcohol","Organooxygen compound","Alcohol","Aromatic heteromonocyclic compound"],"direct_parent":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004646","name":"1-hydroxy-2-unsubstituted benzenoids","chemont_id":"CHEMONTID:0004646","description":"Phenols that a unsubstituted at the 2-position."},"intermediate_nodes":[],"alternative_parents":[{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002012","name":"Oxanes","chemont_id":"CHEMONTID:0002012","description":"Compounds containing an oxane (tetrahydropyran) ring, which is a six-member saturated aliphatic heterocycle with one oxygen atom and five carbon atoms."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002279","name":"Benzene and substituted derivatives","chemont_id":"CHEMONTID:0002279","description":"Aromatic compounds containing one monocyclic ring system consisting of benzene."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001661","name":"Secondary alcohols","chemont_id":"CHEMONTID:0001661","description":"Compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl)."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004140","name":"Oxacyclic compounds","chemont_id":"CHEMONTID:0004140","description":"Organic compounds containing an heterocycle with at least one oxygen atom linked to a ring carbon."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001167","name":"Dialkyl ethers","chemont_id":"CHEMONTID:0001167","description":"Organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are alkyl groups."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004150","name":"Hydrocarbon derivatives","chemont_id":"CHEMONTID:0004150","description":"Derivatives of hydrocarbons obtained by substituting one or more carbon atoms by an heteroatom. 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