Molecule

Armochaetoglobin H

AlkaPlorer ID: AK082520

Synonym: None

IUPAC Name: (1S,6R,9S,13S,16S,17R,18S)-6-hydroxy-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)[C@@H]1O

InChI: InChI=1S/C32H38N2O5/c1-18-7-6-8-23-14-22(17-35)20(3)29-26(15-21-16-33-25-10-5-4-9-24(21)25)34-31(39)32(23,29)28(37)12-11-27(36)30(38)19(2)13-18/h4-6,8-10,13-14,16,18,20,23,26,29-30,33,35,38H,7,11-12,15,17H2,1-3H3,(H,34,39)/t18-,20+,23-,26-,29-,30+,32+/m0/s1

InChIKey: LTGWTFPLXKRKOU-GPWIJIDYSA-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: 139586247

LOTUS: LTS0251387

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NPAtlas: NPA011361

Source

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

Properties Information

Molecule Weight: 530.6650000000004

TPSA？: 122.98

MolLogP？: 4.657900000000003

Number of H-Donors: 4

Number of H-Acceptors: 5

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi