Melinacidin IV
AlkaPlorer ID: AK017371
Synonym: None
IUPAC Name: (2S,11R,14R)-2-hydroxy-3-[(2S,3S,11R,14R)-2-hydroxy-14-(hydroxymethyl)-18-methyl-13,17-dioxo-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadeca-4,6,8-trien-3-yl]-14-(hydroxymethyl)-18-methyl-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadeca-4,6,8-triene-13,17-dione
Structure
SMILES: CN1C(=O)C23SS[C@]1(CO)C(=O)N2[C@H]1NC2=CC=CC=C2C1([C@@]12C4=CC=CC=C4N[C@@H]1N1C(=O)[C@@]4(CO)SSC1(C(=O)N4C)[C@H]2O)[C@@H]3O
InChI: InChI=1S/C30H28N6O8S4/c1-33-23(43)29-17(39)27(13-7-3-5-9-15(13)31-19(27)35(29)21(41)25(33,11-37)45-47-29)28-14-8-4-6-10-16(14)32-20(28)36-22(42)26(12-38)34(2)24(44)30(36,18(28)40)48-46-26/h3-10,17-20,31-32,37-40H,11-12H2,1-2H3/t17-,18-,19+,20+,25+,26+,27+,28?,29?,30?/m0/s1
InChIKey: VGJIEAUSEFTEPX-GIADBQKFSA-N
Reference
Melinacidins II, III and IV. Structural studies.
PubChem CID: 139586500
LOTUS: LTS0060165
{NPAtlas: NPA012219
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Acrostalagmus luteoalbus | Acrostalagmus | Plectosphaerellaceae | Glomerellales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 728.8560000000003
TPSA？: 186.22
MolLogP？: -0.7243999999999997
Number of H-Donors: 6
Number of H-Acceptors: 14
RingCount: 12
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|