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Spartioidine

AlkaPlorer ID: AK005535

Synonym: None

IUPAC Name: (1R,4E,7R,17R)-4-ethylidene-7-hydroxy-7-methyl-6-methylidene-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione

Structure

SMILES: C=C1C/C(=C\C)C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@]1(C)O)[C@H]23

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InChI: InChI=1S/C18H23NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,14-15,22H,2,6-10H2,1,3H3/b12-4+/t14-,15-,18-/m1/s1

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InChIKey: FCEVNJIUIMLVML-ARDNGTNNSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Gynura segetum Gynura Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 333.384

TPSA？: 76.07

MolLogP？: 1.1128999999999998

Number of H-Donors: 1

Number of H-Acceptors: 6

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bacillus anthracis Anthrax lethal factor Potency 25118.9 nM None
Cricetulus griseus CHO EC50 100.0 ug.mL-1 10.1016/jbse.2007.08.015
Lactuca sativa Lactuca sativa Inhibition 50.0 % 10.1016/jbse.2007.08.015
Leptinotarsa decemlineata Leptinotarsa decemlineata EC50 4.8 microg/cm2 10.1016/jbse.2007.08.015
Myzus persicae Myzus persicae Activity 35.0 % 10.1016/jbse.2007.08.015
Rhopalosiphum padi Rhopalosiphum padi Activity 42.0 % 10.1016/jbse.2007.08.015
Spodoptera littoralis Spodoptera littoralis Activity 90.0 % 10.1016/jbse.2007.08.015
Spodoptera littoralis Spodoptera littoralis Activity 97.0 % 10.1016/jbse.2007.08.015
Spodoptera littoralis Spodoptera littoralis EC50 0.2 microg/cm2 10.1016/jbse.2007.08.015
None ADMET EC50 100.0 ug.mL-1 10.1016/jbse.2007.08.015

Metabolism Information