Molecule

Xylopine

AlkaPlorer ID: AK006135

Synonym: 'Xylopine', '(-)-Xylopine'

IUPAC Name: (12R)-16-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaene

Structure

SMILES: COC1=CC=C2C(=C1)C[C@H]1NCCC3=CC4=C(OCO4)C2=C31

InChI: InChI=1S/C18H17NO3/c1-20-12-2-3-13-11(6-12)7-14-16-10(4-5-19-14)8-15-18(17(13)16)22-9-21-15/h2-3,6,8,14,19H,4-5,7,9H2,1H3/t14-/m1/s1

InChIKey: RFWCCZDSXIZJMF-CQSZACIVSA-N

Reference

Annocherine C, A New C‐α Hydroxy Benzylisoquinoline and Other Constituents from the Leaves of <i>Annona Cherimola</i>

PubChem CID: 160503

CAS: 517-71-5

LOTUS: LTS0176542

SuperNatural Ⅲ: SN0324216-02

NPASS: NPC86144

data_source: manually

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Phlomis crinita	Phlomis	Lamiaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Senecio congestus	Senecio	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Sarcophyton flexuosum	Sarcophyton	Alcyoniidae	Malacalcyonacea	Anthozoa	Cnidaria	Metazoa	Eukaryota
Stephania pierrei	Stephania	Menispermaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Aspergillus microcysticus	Aspergillus	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota
Melampodium leucanthum	Melampodium	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Boschniakia rossica	Boschniakia	Orobanchaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Rhododendron mucronulatum	Rhododendron	Ericaceae	Ericales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Lupinus cosentinii	Lupinus	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Creosphaeria sassafras	Creosphaeria	Xylariaceae	Xylariales	Sordariomycetes	Ascomycota	Fungi	Eukaryota
Annona reticulata	Annona	Annonaceae	Magnoliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Crotalaria stolzii	Crotalaria	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Coffea liberica	Coffea	Rubiaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Juniperus scopulorum	Juniperus	Cupressaceae	Cupressales	Pinopsida	Streptophyta	Viridiplantae	Eukaryota
Stellaria media	Stellaria	Caryophyllaceae	Caryophyllales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Renealmia alpinia	Renealmia	Zingiberaceae	Zingiberales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Bursera kerberi	Bursera	Burseraceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Grevillea hilliana	Grevillea	Proteaceae	Proteales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Emericellopsis minima	Emericellopsis	None	Hypocreales	Sordariomycetes	Ascomycota	Fungi	Eukaryota
Costasiella ocellifera	Costasiella	Costasiellidae	None	Gastropoda	Mollusca	Metazoa	Eukaryota
Beesia calthifolia	Beesia	Ranunculaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Annona cherimola	Annona	Annonaceae	Magnoliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Euonymus fortunei	Euonymus	Celastraceae	Celastrales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Curcuma aeruginosa	Curcuma	Zingiberaceae	Zingiberales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Clerodendrum trichotomum	Clerodendrum	Lamiaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Sideritis dasygnaphala	Sideritis	Lamiaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Pellacalyx axillaris	Pellacalyx	Rhizophoraceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Streptomyces parvisporogenes	Streptomyces	Streptomycetaceae	Kitasatosporales	Actinomycetes	Actinomycetota	None	Bacteria
Euploca racemosa	Euploca	Heliotropiaceae	Boraginales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Tephroseris kirilowii	Tephroseris	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Botrychium ternatum	Botrychium	Ophioglossaceae	Ophioglossales	Polypodiopsida	Streptophyta	Viridiplantae	Eukaryota
Micromelum ceylanicum	Micromelum	Rutaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Clinacanthus nutans	Clinacanthus	Acanthaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Piper brachystachyum	Piper	Piperaceae	Piperales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Streptomyces melanogenes	Streptomyces	Streptomycetaceae	Kitasatosporales	Actinomycetes	Actinomycetota	None	Bacteria
Morella pensylvanica	Morella	Myricaceae	Fagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Alstonia angustiloba	Alstonia	Apocynaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Eucalyptus albens	Eucalyptus	Myrtaceae	Myrtales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Micromonospora echinospora	Micromonospora	Micromonosporaceae	Micromonosporales	Actinomycetes	Actinomycetota	None	Bacteria

Properties Information

Molecule Weight: 295.338

TPSA？: 39.72

MolLogP？: 2.833800000000001

Number of H-Donors: 1

Number of H-Acceptors: 4

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	A-431	ED50	4.6	ug ml-1	10.1021/np50099a005
Homo sapiens	HT-1080	ED50	2.2	ug ml-1	10.1021/np50099a005
Homo sapiens	KB	ED50	2.0	ug ml-1	10.1021/np50099a005
Homo sapiens	LNCaP	ED50	2.4	ug ml-1	10.1021/np50099a005
Homo sapiens	SK-MEL-2	ED50	12.6	ug ml-1	10.1021/np50099a005
Homo sapiens	ZR-75-1	ED50	2.4	ug ml-1	10.1021/np50099a005
Mus musculus	P388	ED50	2.2	ug ml-1	10.1021/np50099a005
Plasmodium falciparum	Plasmodium falciparum	ED50	440.0	ng/ml	10.1021/np50099a005
Plasmodium falciparum	Plasmodium falciparum	ED50	2270.0	ng/ml	10.1021/np50099a005
None	NON-PROTEIN TARGET	ED50	0.9	ug ml-1	10.1021/np50099a005
None	NON-PROTEIN TARGET	ED50	1.9	ug ml-1	10.1021/np50099a005
None	NON-PROTEIN TARGET	ED50	2.3	ug ml-1	10.1021/np50099a005
None	NON-PROTEIN TARGET	ED50	3.4	ug ml-1	10.1021/np50099a005
None	NON-PROTEIN TARGET	ED50	4.1	ug ml-1	10.1021/np50099a005
None	Unchecked	Ratio ED50	9.0	None	10.1021/np50099a005
None	Unchecked	Ratio ED50	45.0	None	10.1021/np50099a005