Molecule

Armochaetoglobin J

AlkaPlorer ID: AK082503

Synonym: None

IUPAC Name: (1S,2S,3R,7S,15S,18R,19R,20S)-2-hydroxy-18-(1H-indol-3-ylmethyl)-1,7,9,20-tetramethyl-21-oxa-17-azatetracyclo[16.2.1.03,15.015,19]henicosa-4,8-diene-10,11,14,16-tetrone

Structure

SMILES: CC1=C[C@@H](C)CC=C[C@H]2[C@H](O)[C@@]3(C)O[C@@]4(CC5=CNC6=CC=CC=C56)N=C(O)[C@]2(C(=O)CCC(=O)C1=O)[C@H]4[C@@H]3C

InChI: InChI=1S/C32H36N2O6/c1-17-8-7-10-22-28(38)30(4)19(3)27-31(40-30,15-20-16-33-23-11-6-5-9-21(20)23)34-29(39)32(22,27)25(36)13-12-24(35)26(37)18(2)14-17/h5-7,9-11,14,16-17,19,22,27-28,33,38H,8,12-13,15H2,1-4H3,(H,34,39)/t17-,19-,22-,27-,28-,30-,31+,32+/m0/s1

InChIKey: FMJFHKTWWXZEKF-PWWMUABTSA-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: 139585466

LOTUS: LTS0127125

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NPAtlas: NPA008488

Source

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

Properties Information

Molecule Weight: 544.6480000000004

TPSA？: 129.04999999999998

MolLogP？: 4.424900000000003

Number of H-Donors: 3

Number of H-Acceptors: 6

RingCount: 6

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi