Aranotin
AlkaPlorer ID: AK005773
Synonym: None
IUPAC Name: [(1R,4S,5S,12R,15S,16S)-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)O[C@H]1C=COC=C2C[C@@]34SS[C@]5(CC6=COC=C[C@H](O)[C@H]6N5C3=O)C(=O)N4[C@@H]21
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/t13-,14-,15-,16-,19+,20+/m0/s1
InChIKey: HXWOWBFXYUFFKS-PSJNWGMYSA-N
Reference
Aranotin and related metabolites from Arachniotus aureus. I. Determination of structure
PubChem CID: 10412012
LOTUS: LTS0015150
NPASS: NPC47983
{NPAtlas: NPA017104
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Amauroascus aureus | Amauroascus | Onygenaceae | Onygenales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
| Bacillus methanolicus | Bacillus | Bacillaceae | Bacillales | Bacilli | Bacillota | None | Bacteria |
| 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 |
|---|