Molecule

UNPD50998

AlkaPlorer ID: AK263760

Synonym: None

IUPAC Name: (E,7R)-N-[(E)-2-chloro-3-[(1R,3S,6R)-3-methyl-2-oxo-7-oxabicyclo[4.1.0]hept-4-en-1-yl]prop-2-enyl]-7-methoxy-N-methyltetradec-4-enamide

Structure

SMILES: CCCCCCC[C@H](C/C=C/CCC(=O)N(C)C/C(Cl)=C\[C@@]12O[C@@H]1C=C[C@H](C)C2=O)OC

InChI: InChI=1S/C26H40ClNO4/c1-5-6-7-8-10-13-22(31-4)14-11-9-12-15-24(29)28(3)19-21(27)18-26-23(32-26)17-16-20(2)25(26)30/h9,11,16-18,20,22-23H,5-8,10,12-15,19H2,1-4H3/b11-9+,21-18+/t20-,22+,23+,26+/m0/s1

InChIKey: PQXQJHLSLBUXTJ-YLHLCLPTSA-N

Reference

PubChem CID: 163008102

SuperNatural Ⅲ: SN0292832-01

NPASS: NPC300847

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Scolopendra subspinipes	Scolopendra	Scolopendridae	Scolopendromorpha	Chilopoda	Arthropoda	Metazoa	Eukaryota
Eunicea flexuosa	Eunicea	Plexauridae	Malacalcyonacea	Anthozoa	Cnidaria	Metazoa	Eukaryota
Hebanthe paniculata	Hebanthe	Amaranthaceae	Caryophyllales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Rhamnus triquetra	Rhamnus	Rhamnaceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Polyalthia debilis	Polyalthia	Annonaceae	Magnoliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Allium cernuum	Allium	Amaryllidaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 466.0620000000001

TPSA？: 59.14

MolLogP？: 5.582100000000006

Number of H-Donors: 0

Number of H-Acceptors: 4

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi