Molecule

Simulansamide

AlkaPlorer ID: AK039249

Synonym: None

IUPAC Name: N-[2-(2-hydroxy-3,4-dimethoxyphenyl)-6,7-dimethoxynaphthalen-1-yl]-N-methylformamide

Structure

SMILES: COC1=CC2=CC=C(C3=CC=C(OC)C(OC)=C3O)C(N(C)C=O)=C2C=C1OC

InChI: InChI=1S/C22H23NO6/c1-23(12-24)20-14(15-8-9-17(26-2)22(29-5)21(15)25)7-6-13-10-18(27-3)19(28-4)11-16(13)20/h6-12,25H,1-5H3

InChIKey: QNIQCCMVUPVMMU-UHFFFAOYSA-N

Reference

Structure and Synthesis of Simulansamide, a Platelet Aggregation Inhibitor from <i>Zanthoxylum Simulans</i>

PubChem CID: 5321312

CAS: 176713-29-4

LOTUS: LTS0018363

SuperNatural Ⅲ: SN0310087

NPASS: NPC71778

COCONUT: CNP0136115

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Zanthoxylum simulans	Zanthoxylum	Rutaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Agave deserti	Agave	Asparagaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Inula salsoloides	Inula	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Hortonia floribunda	Hortonia	Monimiaceae	Laurales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Plakortis simplex	Plakortis	Plakinidae	Homosclerophorida	Homoscleromorpha	Porifera	Metazoa	Eukaryota
Morinda coreia	Morinda	Rubiaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Asclepias subulata	Asclepias	Apocynaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Xanthoria parietina	Xanthoria	Teloschistaceae	Teloschistales	Lecanoromycetes	Ascomycota	Fungi	Eukaryota
Jacobaea cannabifolia	Jacobaea	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Solanum spirale	Solanum	Solanaceae	Solanales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Passiflora morifolia	Passiflora	Passifloraceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Hosta sieboldiana	Hosta	Asparagaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Eutrochium purpureum	Eutrochium	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Celastrus monospermus	Celastrus	Celastraceae	Celastrales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Conium maculatum	Conium	Apiaceae	Apiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Talipariti tiliaceum	Talipariti	Malvaceae	Malvales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 397.4270000000001

TPSA？: 77.46000000000001

MolLogP？: 3.839400000000003

Number of H-Donors: 1

Number of H-Acceptors: 6

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi