Emestrin; 7''-Deoxy
AlkaPlorer ID: AK297384
Synonym: Emestrin F
IUPAC Name: 19,32-dihydroxy-15-methoxy-28-methyl-6,10,17-trioxa-25,26-dithia-2,28-diazaheptacyclo[22.2.2.11,4.12,24.112,16.118,22.03,9]dotriaconta-4,7,12(31),13,15,18,20,22(30)-octaene-11,27,29-trione
Structure
SMILES: COC1=CC=C2C=C1OC1=CC(=CC=C1O)CC13SSC4(C(=O)N1C)C(O)C1=COC=CC(OC2=O)C1N4C3=O
InChI: InChI=1S/C27H22N2O9S2/c1-28-25(34)27-22(31)15-12-36-8-7-18-21(15)29(27)24(33)26(28,39-40-27)11-13-3-5-16(30)19(9-13)37-20-10-14(23(32)38-18)4-6-17(20)35-2/h3-10,12,18,21-22,30-31H,11H2,1-2H3
InChIKey: HMRONKUXQQHMSE-UHFFFAOYSA-N
Reference
New secondary metabolites from bioactive extracts of the fungus <i>Armillaria tabescens</i>
PubChem CID: 163065753
LOTUS: LTS0060547
COCONUT: CNP0357079.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Armillaria | Physalacriaceae | Agaricales | Agaricomycetes | Basidiomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 582.6120000000002
TPSA？: 135.07000000000002
MolLogP？: 2.5337
Number of H-Donors: 2
Number of H-Acceptors: 11
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|