Leptosin K1
AlkaPlorer ID: AK060199
Synonym: None
IUPAC Name: (1S,2S,11R)-2-hydroxy-3-[(1R,2S,3R,11S,14S)-2-hydroxy-18-methyl-13,17-dioxo-14-propan-2-yl-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadeca-4,6,8-trien-3-yl]-19-methyl-14-propan-2-yl-15,16,17-trithia-10,12,19-triazapentacyclo[12.3.2.01,12.03,11.04,9]nonadeca-4,6,8-triene-13,18-dione
Structure
SMILES: CC(C)C12SSS[C@]3(C(=O)N1C)[C@@H](O)C1([C@]45C6=CC=CC=C6N[C@H]4N4C(=O)[C@]6(C(C)C)SS[C@@]4(C(=O)N6C)[C@H]5O)C4=CC=CC=C4N[C@@H]1N3C2=O
InChI: InChI=1S/C34H36N6O6S5/c1-15(2)31-27(45)39-23-29(17-11-7-9-13-19(17)35-23,21(41)33(39,48-47-31)25(43)37(31)5)30-18-12-8-10-14-20(18)36-24(30)40-28(46)32(16(3)4)38(6)26(44)34(40,22(30)42)50-51-49-32/h7-16,21-24,35-36,41-42H,1-6H3/t21-,22-,23-,24+,29-,30?,31-,32?,33+,34-/m0/s1
InChIKey: SVKOQQXMXSQXBA-XIBRWGQVSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Leptosphaeria sp. | Leptosphaeria | Leptosphaeriaceae | Pleosporales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 785.033
TPSA？: 145.76000000000002
MolLogP？: 3.2512000000000016
Number of H-Donors: 4
Number of H-Acceptors: 13
RingCount: 12
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|