Molecule

Cytochalasin Z18

AlkaPlorer ID: AK092657

Synonym: None

IUPAC Name: [(1aS,2S,2aS,5S,5aS,6S,6aR)-5-benzyl-2-[(E,4S)-6-hydroxy-8,8-dimethoxy-4,6-dimethyl-5-oxooct-1-enyl]-6,6a-dimethyl-3-oxo-1a,2,4,5,5a,6-hexahydrooxireno[2,3-f]isoindol-2a-yl] methyl carbonate

Structure

SMILES: COC(=O)O[C@@]12C(O)=N[C@@H](CC3=CC=CC=C3)[C@@H]1[C@H](C)[C@@]1(C)O[C@H]1[C@@H]2/C=C/C[C@H](C)C(=O)C(C)(O)CC(OC)OC

InChI: InChI=1S/C31H43NO9/c1-18(25(33)29(3,36)17-23(37-5)38-6)12-11-15-21-26-30(4,40-26)19(2)24-22(16-20-13-9-8-10-14-20)32-27(34)31(21,24)41-28(35)39-7/h8-11,13-15,18-19,21-24,26,36H,12,16-17H2,1-7H3,(H,32,34)/b15-11+/t18-,19-,21-,22-,24-,26-,29?,30+,31+/m0/s1

InChIKey: HIZYZLIYBVEMDE-SVNSFHOFSA-N

Reference

Bioactive Cytochalasins from <i>Aspergillus flavipes</i>, an Endophytic Fungus Associated with the Mangrove Plant <i>Acanthus ilicifolius</i>

PubChem CID: 101491661

LOTUS: LTS0062925

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NPAtlas: NPA017681

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Acanthus ilicifolius	Acanthus	Acanthaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 573.6830000000003

TPSA？: 136.41

MolLogP？: 4.040700000000004

Number of H-Donors: 2

Number of H-Acceptors: 9

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi