8-Hydroxy-4-(hydroxymethyl)-9-[8-hydroxy-5-methyl-4,7-bis(methylsulfanyl)-3,6-dioxo-4-propan-2-yl-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-trien-9-yl]-5-methyl-4,7-bis(methylsulfanyl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
AlkaPlorer ID: AK322172
Synonym: None
IUPAC Name: 8-hydroxy-4-(hydroxymethyl)-9-[8-hydroxy-5-methyl-4,7-bis(methylsulfanyl)-3,6-dioxo-4-propan-2-yl-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-trien-9-yl]-5-methyl-4,7-bis(methylsulfanyl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
Structure
SMILES: CSC1(CO)C(=O)N2C3NC4=CC=CC=C4C3(C34C5=CC=CC=C5NC3N3C(=O)C(SC)(C(C)C)N(C)C(=O)C3(SC)C4O)C(O)C2(SC)C(=O)N1C
InChI: InChI=1S/C36H44N6O7S4/c1-18(2)34(51-6)30(49)42-26-33(20-14-10-12-16-22(20)38-26,24(45)36(42,53-8)29(48)40(34)4)32-19-13-9-11-15-21(19)37-25(32)41-27(46)31(17-43,50-5)39(3)28(47)35(41,52-7)23(32)44/h9-16,18,23-26,37-38,43-45H,17H2,1-8H3
InChIKey: YTEOURFJYRYLNY-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Preussia typharum | Preussia | Sporormiaceae | Pleosporales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 801.0510000000002
TPSA？: 165.99
MolLogP？: 1.6013000000000002
Number of H-Donors: 5
Number of H-Acceptors: 13
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|