Emestrin G
AlkaPlorer ID: AK040983
Synonym: None
IUPAC Name: (1R,2S,16S,22S,24R,28R)-2,6,28-trihydroxy-10-methoxy-26-methyl-8,15,19-trioxa-29-thia-23,26-diazaheptacyclo[21.3.1.11,24.13,7.19,13.121,24.016,22]hentriaconta-3(31),4,6,9,11,13(30),17,20-octaene-14,25,27-trione
Structure
SMILES: COC1=CC=C2C=C1OC1=CC(=CC=C1O)[C@H](O)[C@]13S[C@@]4(C(=O)N1C)[C@H](O)C1=COC=C[C@H](OC2=O)[C@H]1N4C3=O
InChI: InChI=1S/C27H22N2O10S/c1-28-24(34)27-22(32)14-11-37-8-7-17-20(14)29(27)25(35)26(28,40-27)21(31)12-3-5-15(30)18(9-12)38-19-10-13(23(33)39-17)4-6-16(19)36-2/h3-11,17,20-22,30-32H,1-2H3/t17-,20-,21-,22+,26+,27+/m0/s1
InChIKey: ANDDFPWMPITTPZ-YITDFDIYSA-N
Reference
New secondary metabolites from bioactive extracts of the fungus <i>Armillaria tabescens</i>
PubChem CID: 139583682
LOTUS: LTS0228159
{NPAtlas: NPA002105
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Armillaria | Physalacriaceae | Agaricales | Agaricomycetes | Basidiomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 566.5440000000002
TPSA？: 155.3
MolLogP？: 1.3763999999999992
Number of H-Donors: 3
Number of H-Acceptors: 11
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|