Molecule

Aranotin; Ac

AlkaPlorer ID: AK289105

Synonym: Acetylaranotin, A 21101 II, LL-S-88 A'', Antibiotic A 21101 II, Antibiotic LL-S-88 A''

IUPAC Name: (16-acetyloxy-2,13-dioxo-8,19-dioxa-23,24-dithia-3,14-diazahexacyclo[10.10.2.01,14.03,12.04,10.015,21]tetracosa-6,9,17,20-tetraen-5-yl) acetate

Structure

SMILES: CC(=O)OC1C=COC=C2CC34SSC5(CC6=COC=CC(OC(C)=O)C6N5C3=O)C(=O)N4C21

InChI: InChI=1S/C22H20N2O8S2/c1-11(25)31-15-3-5-29-9-13-7-21-20(28)24-18-14(10-30-6-4-16(18)32-12(2)26)8-22(24,34-33-21)19(27)23(21)17(13)15/h3-6,9-10,15-18H,7-8H2,1-2H3

InChIKey: OHTZNUUGYPDWEB-UHFFFAOYSA-N

Reference

Isolation of Acetylaranotin, Bisdethiodi(methylthio)-acetylaranotin and Terrein as Plant Growth Inhibitors from a Strain of<i>Aspergillus terreus</i>

PubChem CID: 161315

CAS: 20485-01-2

LOTUS: LTS0016621

COCONUT: CNP0270546.3

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NPAtlas: NPA020387

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Aspergillus terreus	Aspergillus	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota
None	Alternaria	Pleosporaceae	Pleosporales	Dothideomycetes	Ascomycota	Fungi	Eukaryota
Aspergillus sp.	Aspergillus	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota
Aspergillus sp. KMD 901	Aspergillus	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota
None	Arachniotus	Gymnoascaceae	Onygenales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 504.5420000000002

TPSA？: 111.68

MolLogP？: 1.7084

Number of H-Donors: 0

Number of H-Acceptors: 10

RingCount: 7

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi