Molecule

Armochaetoglobin A

AlkaPlorer ID: AK082531

Synonym: None

IUPAC Name: (2E,6E)-7-[(1aS,2R,2aR,5S,5aR,6S,6aR)-5-(1H-indol-3-ylmethyl)-6,6a-dimethyl-3-oxo-2a-(1H-pyrrol-2-yl)-1a,2,4,5,5a,6-hexahydrooxireno[2,3-f]isoindol-2-yl]-2,4-dimethylhepta-2,6-dienal

Structure

SMILES: C/C(C=O)=C\C(C)C/C=C/[C@H]1[C@@H]2O[C@]2(C)[C@@H](C)[C@H]2[C@H](CC3=CNC4=CC=CC=C34)N=C(O)[C@]21C1=CC=CN1

InChI: InChI=1S/C32H37N3O3/c1-19(15-20(2)18-36)9-7-11-24-29-31(4,38-29)21(3)28-26(16-22-17-34-25-12-6-5-10-23(22)25)35-30(37)32(24,28)27-13-8-14-33-27/h5-8,10-15,17-19,21,24,26,28-29,33-34H,9,16H2,1-4H3,(H,35,37)/b11-7+,20-15+/t19?,21-,24-,26-,28-,29-,31+,32+/m0/s1

InChIKey: UXYUXCFJWUXAND-BCSZRQCSSA-N

Reference

Armochaetoglobins A–J: Cytochalasan Alkaloids from <i>Chaetomium globosum</i> TW1-1, a Fungus Derived from the Terrestrial Arthropod <i>Armadillidium vulgare</i>

PubChem CID: 139586373

LOTUS: LTS0113977

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NPAtlas: NPA011783

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Armadillidium vulgare	Armadillidium	Armadillidiidae	Isopoda	Malacostraca	Arthropoda	Metazoa	Eukaryota

Properties Information

Molecule Weight: 511.6660000000002

TPSA？: 93.77

MolLogP？: 6.082400000000005

Number of H-Donors: 3

Number of H-Acceptors: 3

RingCount: 6

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi