Molecule

UNPD60243

alkaplorer_id: AK000014

Synonym: None

IUPAC_name: [(1R,3S,4S,6R)-6-[(E)-2-chloro-3-[[(E,7R)-7-methoxytetradec-4-enoyl]-methylamino]prop-1-enyl]-4-methyl-5-oxo-7-oxabicyclo[4.1.0]heptan-3-yl] acetate

Structure

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

InChI: InChI=1S/C28H44ClNO6/c1-6-7-8-9-11-14-23(34-5)15-12-10-13-16-26(32)30(4)19-22(29)18-28-25(36-28)17-24(35-21(3)31)20(2)27(28)33/h10,12,18,20,23-25H,6-9,11,13-17,19H2,1-5H3/b12-10+,22-18+/t20-,23+,24-,25+,28+/m0/s1

InChIKey: GDESDHLFNHBFLN-LPGGHTANSA-N

Reference

DOI

PubChem ID:163008880

Cas ID:None

Source

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

Properties Information

Molecule Weight: 526.1140000000003

TPSA: 85.44000000000001

MolLogP: 5.347700000000006

Number of H-Donors: 0

Number of H-Acceptors: 6

RingCount: 2

Activities Information

organism	target_name	standard_type	standard_value	standard_units	doi