Molecule

Lyngbyatoxin A acetate

AlkaPlorer ID: AK035737

Synonym: ''

IUPAC Name: [(10S,13S)-5-[(3R)-3,7-dimethylocta-1,6-dien-3-yl]-9-methyl-11-oxo-10-propan-2-yl-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1,4,6,8(15)-tetraen-13-yl]methyl acetate

Structure

SMILES: C=C[C@@](C)(CCC=C(C)C)C1=CC=C2C3=C1NC=C3C[C@@H](COC(C)=O)N=C(O)[C@H](C(C)C)N2C

InChI: InChI=1S/C29H41N3O3/c1-9-29(7,14-10-11-18(2)3)23-12-13-24-25-21(16-30-26(23)25)15-22(17-35-20(6)33)31-28(34)27(19(4)5)32(24)8/h9,11-13,16,19,22,27,30H,1,10,14-15,17H2,2-8H3,(H,31,34)/t22-,27-,29-/m0/s1

InChIKey: WUGMGNWGTQDXDH-NVLPUFGLSA-N

Reference

Two Complex Proline Esters from the Sea Hare <i>Stylocheilus longicauda</i>

PubChem CID: 10096667

LOTUS: LTS0060687

NPASS: NPC191259

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: 479.6650000000003

TPSA？: 77.92

MolLogP？: 6.263100000000007

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi