Sirodesmin A; Trisulfide homologue, 2a-Ac
AlkaPlorer ID: AK313640
Synonym: Antibiotic TAN 1496C, TAN 1496C
IUPAC Name: [3-acetyloxy-10-(hydroxymethyl)-4',4',5',15-tetramethyl-3',9,14-trioxospiro[11,12,13-trithia-8,15-diazatetracyclo[8.3.2.01,8.03,7]pentadecane-5,2'-oxolane]-4-yl] acetate
Structure
SMILES: CC(=O)OC1C2(CC3N4C(=O)C5(CO)SSSC4(CC31OC(C)=O)C(=O)N5C)OC(C)C(C)(C)C2=O
InChI: InChI=1S/C22H28N2O9S3/c1-10-18(4,5)14(28)19(32-10)7-13-20(33-12(3)27,15(19)31-11(2)26)8-21-16(29)23(6)22(9-25,35-36-34-21)17(30)24(13)21/h10,13,15,25H,7-9H2,1-6H3
InChIKey: MGCIFJUWYBXMLR-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Microsphaeropsis sp. | Microsphaeropsis | Didymellaceae | Pleosporales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 560.6720000000003
TPSA？: 139.75
MolLogP？: 0.8774999999999995
Number of H-Donors: 1
Number of H-Acceptors: 12
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|