Molecule

maclekarpine E

AlkaPlorer ID: AK092983

Synonym: None

IUPAC Name: 2-methoxy-4-[(E)-2-[(23R)-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaen-23-yl]ethenyl]phenol

Structure

SMILES: COC1=CC(/C=C/[C@@H]2C3=C4OCOC4=CC=C3C3=CC=C4C=C5OCOC5=CC4=C3N2C)=CC=C1O

InChI: InChI=1S/C29H23NO6/c1-30-21(8-3-16-4-9-22(31)24(11-16)32-2)27-18(7-10-23-29(27)36-15-33-23)19-6-5-17-12-25-26(35-14-34-25)13-20(17)28(19)30/h3-13,21,31H,14-15H2,1-2H3/b8-3+/t21-/m1/s1

InChIKey: UPUBAPAANAAZBG-RPZUPEABSA-N

Reference

Cytotoxic dihydrobenzophenanthridine alkaloids from the roots of Macleaya microcarpa

PubChem CID: 163071510

LOTUS: LTS0005141

SuperNatural Ⅲ: SN0376857-03

NPASS: NPC148862

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Garcinia xanthochymus	Garcinia	Clusiaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Crambe fruticosa	Crambe	Brassicaceae	Brassicales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Vitex divaricata	Vitex	Lamiaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Pueraria tuberosa	Pueraria	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Diabelia spathulata	Diabelia	Caprifoliaceae	Dipsacales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Liatris aspera	Liatris	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Canarina canariensis	Canarina	Campanulaceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Nicotiana plumbaginifolia	Nicotiana	Solanaceae	Solanales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Heterodermia obscurata	Heterodermia	Physciaceae	Caliciales	Lecanoromycetes	Ascomycota	Fungi	Eukaryota
Fusarium incarnatum	Fusarium	Nectriaceae	Hypocreales	Sordariomycetes	Ascomycota	Fungi	Eukaryota
Streptomyces pulveraceus	Streptomyces	Streptomycetaceae	Kitasatosporales	Actinomycetes	Actinomycetota	None	Bacteria

Properties Information

Molecule Weight: 481.50400000000025

TPSA？: 69.62

MolLogP？: 5.882700000000004

Number of H-Donors: 1

Number of H-Acceptors: 7

RingCount: 7

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi