Molecule

Armochaetoglobin B

AlkaPlorer ID: AK047321

Synonym: None

IUPAC Name: (1S,9S,13S,16S,17R,18S)-15-(hydroxymethyl)-18-(1H-indol-3-ylmethyl)-7,9,16-trimethyl-19-azatricyclo[11.7.0.01,17]icosa-7,11,14-triene-2,5,20-trione

Structure

SMILES: CC1=C[C@@H](C)CC=C[C@H]2C=C(CO)[C@@H](C)[C@H]3[C@H](CC4=CNC5=CC=CC=C45)N=C(O)[C@@]23C(=O)CCC(=O)C1

InChI: InChI=1S/C32H38N2O4/c1-19-7-6-8-24-15-23(18-35)21(3)30-28(16-22-17-33-27-10-5-4-9-26(22)27)34-31(38)32(24,30)29(37)12-11-25(36)14-20(2)13-19/h4-6,8-10,13,15,17,19,21,24,28,30,33,35H,7,11-12,14,16,18H2,1-3H3,(H,34,38)/t19-,21+,24-,28-,30-,32+/m0/s1

InChIKey: VFAYVFXEKSOZAD-KHZDPQTQSA-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: 139583879

LOTUS: LTS0094643

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NPAtlas: NPA002836

Source

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

Properties Information

Molecule Weight: 514.6660000000003

TPSA？: 102.75

MolLogP？: 5.6871000000000045

Number of H-Donors: 3

Number of H-Acceptors: 4

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi