Aranotin
AlkaPlorer ID: AK289104
Synonym: Ariotin, Antibiotic A 21101 III, A 21101 III, Lilly 53183
IUPAC Name: (16-hydroxy-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(O)C6N5C3=O)C(=O)N4C21
InChI: InChI=1S/C20H18N2O7S2/c1-10(23)29-14-3-5-28-9-12-7-20-17(25)21-15-11(8-27-4-2-13(15)24)6-19(21,30-31-20)18(26)22(20)16(12)14/h2-5,8-9,13-16,24H,6-7H2,1H3
InChIKey: HXWOWBFXYUFFKS-UHFFFAOYSA-N
Reference
Aranotin and related metabolites from Arachniotus aureus. I. Determination of structure
PubChem CID: 29844
CAS: 19885-51-9
LOTUS: LTS0010074
COCONUT: CNP0187136.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus terreus | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
| None | Arachniotus | Gymnoascaceae | Onygenales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 462.5050000000001
TPSA？: 105.61
MolLogP？: 1.1376
Number of H-Donors: 1
Number of H-Acceptors: 9
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|