Scabrosin; Di-Ac
AlkaPlorer ID: AK313010
Synonym: Scabrosin 4,4'-diacetate
IUPAC Name: (19-acetyloxy-2,13-dioxo-6,17-dioxa-23,24-dithia-3,14-diazaoctacyclo[10.10.2.01,14.03,12.04,10.05,7.015,21.016,18]tetracosa-9,20-dien-8-yl) acetate
Structure
SMILES: CC(=O)OC1C=C2CC34SSC5(CC6=CC(OC(C)=O)C7OC7C6N5C3=O)C(=O)N4C2C2OC12
InChI: InChI=1S/C22H20N2O8S2/c1-7(25)29-11-3-9-5-21-19(27)24-14-10(4-12(30-8(2)26)16-18(14)32-16)6-22(24,34-33-21)20(28)23(21)13(9)17-15(11)31-17/h3-4,11-18H,5-6H2,1-2H3
InChIKey: ZBNYTZGPXZDUNM-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Xanthoparmelia scabrosa | Xanthoparmelia | Parmeliaceae | Lecanorales | Lecanoromycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 504.54200000000026
TPSA？: 118.28
MolLogP？: 0.2676
Number of H-Donors: 0
Number of H-Acceptors: 10
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|