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Caryachine

AlkaPlorer ID: AK024340

Synonym: None

IUPAC Name: (1S,12S)-16-methoxy-20-methyl-5,7-dioxa-20-azapentacyclo[10.7.1.02,10.04,8.013,18]icosa-2,4(8),9,13,15,17-hexaen-15-ol

Structure

SMILES: COC1=C(O)C=C2C(=C1)C[C@H]1C3=C(C=C4OCOC4=C3)C[C@@H]2N1C

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InChI: InChI=1S/C19H19NO4/c1-20-14-4-11-6-18-19(24-9-23-18)8-13(11)15(20)3-10-5-17(22-2)16(21)7-12(10)14/h5-8,14-15,21H,3-4,9H2,1-2H3/t14-,15-/m0/s1

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InChIKey: TZJNFQHUSMXCIT-GJZGRUSLSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Chenopodiastrum murale Chenopodiastrum Chenopodiaceae Caryophyllales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Veretillum cynomorium Veretillum Veretillidae Scleralcyonacea Anthozoa Cnidaria Metazoa Eukaryota
Cyttaria johowii Cyttaria Cyttariaceae Cyttariales Leotiomycetes Ascomycota Fungi Eukaryota
Coprosma foetidissima Coprosma Rubiaceae Gentianales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Sphaerechinus granularis Sphaerechinus Toxopneustidae Temnopleuroida Echinoidea Echinodermata Metazoa Eukaryota
Marrubium parviflorum Marrubium Lamiaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Davidsonia pruriens Davidsonia Cunoniaceae Oxalidales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Trifolium diffusum Trifolium Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Hypocrella bambusae Hypocrella Clavicipitaceae Hypocreales Sordariomycetes Ascomycota Fungi Eukaryota
Chenopodium quinoa Chenopodium Chenopodiaceae Caryophyllales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Scleropyrum wallichianum Scleropyrum Cervantesiaceae Santalales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Psathyrotes ramosissima Psathyrotes Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Geranium collinum Geranium Geraniaceae Geraniales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Girgensohnia oppositiflora Girgensohnia Chenopodiaceae Caryophyllales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Citrus medica Citrus Rutaceae Sapindales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Aralia hispida Aralia Araliaceae Apiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Youngia japonica Youngia Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Parthenium confertum Parthenium Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Streptomyces graminofaciens Streptomyces Streptomycetaceae Kitasatosporales Actinomycetes Actinomycetota None Bacteria
Cryptocarya chinensis Cryptocarya Lauraceae Laurales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Veronica stricta Veronica Plantaginaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Baeckea frutescens Baeckea Myrtaceae Myrtales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Eschscholzia californica Eschscholzia Papaveraceae Ranunculales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Isodon eriocalyx Isodon Lamiaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Lychnophora pinaster Lychnophora Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Harpullia cupanioides Harpullia Sapindaceae Sapindales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Microglossa pyrifolia Microglossa Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 325.36400000000003

TPSA？: 51.16

MolLogP？: 2.9559000000000006

Number of H-Donors: 1

Number of H-Acceptors: 5

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens Serotonin 1a (5-HT1a) receptor Activity 5.0 uM 10.1021/np058114h
Homo sapiens Serotonin 1a (5-HT1a) receptor EC50 9000.0 nM 10.1021/np058114h

Metabolism Information