Molecule

Escholtzine

AlkaPlorer ID: AK033132

Synonym: None

IUPAC Name: (1S,12S)-23-methyl-5,7,16,18-tetraoxa-23-azahexacyclo[10.10.1.02,10.04,8.013,21.015,19]tricosa-2,4(8),9,13,15(19),20-hexaene

Structure

SMILES: CN1[C@H]2CC3=C(C=C4OCOC4=C3)[C@@H]1CC1=CC3=C(C=C12)OCO3

InChI: InChI=1S/C19H17NO4/c1-20-14-2-10-4-16-18(23-8-21-16)6-12(10)15(20)3-11-5-17-19(7-13(11)14)24-9-22-17/h4-7,14-15H,2-3,8-9H2,1H3/t14-,15-/m0/s1

InChIKey: PGINMPJZCWDQNT-GJZGRUSLSA-N

Reference

Ca2+-Channel Blockade in Rat Thoracic Aorta by Crychine Isolated from<i>Cryptocarya chinensis</i>Hemsl

PubChem CID: 12304178

LOTUS: LTS0051647

SuperNatural Ⅲ: SN0284680-01

NPASS: NPC210148

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
Cryptocarya laevigata	Cryptocarya	Lauraceae	Laurales	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: 323.34800000000007

TPSA？: 40.16

MolLogP？: 2.9704000000000006

Number of H-Donors: 0

Number of H-Acceptors: 5

RingCount: 6

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	A549	IC50	8709.0	nM	10.1021/acs.jnatprod.6b01153
Homo sapiens	Cytochrome P450 3A4	IC50	13400.0	nM	10.1021/np058114h
Homo sapiens	KB	IC50	17030.0	nM	10.1021/acs.jnatprod.6b01153
Homo sapiens	MCF7	IC50	26560.0	nM	10.1021/acs.jnatprod.6b01153
Homo sapiens	MDA-MB-231	IC50	26130.0	nM	10.1021/acs.jnatprod.6b01153
Homo sapiens	Serotonin 1a (5-HT1a) receptor	EC50	11000.0	nM	10.1021/np058114h
Homo sapiens	Serotonin 1a (5-HT1a) receptor	Ki	6000.0	nM	10.1021/np058114h
None	Unchecked	Activity	nan	None	10.1021/acs.jnatprod.6b01153
None	Unchecked	IC50	19800.0	nM	10.1021/acs.jnatprod.6b01153