Scabrosin; 4'-Hexanoyl, 4-butanoyl
AlkaPlorer ID: AK313013
Synonym: Scabrosin 4-butanoate-4'-hexanoate
IUPAC Name: (19-butanoyloxy-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) hexanoate
Structure
SMILES: CCCCCC(=O)OC1C=C2CC34SSC5(CC6=CC(OC(=O)CCC)C7OC7C6N5C3=O)C(=O)N4C2C2OC12
InChI: InChI=1S/C28H32N2O8S2/c1-3-5-6-8-18(32)36-16-10-14-12-28-26(34)29-19-13(9-15(21-23(19)37-21)35-17(31)7-4-2)11-27(29,39-40-28)25(33)30(28)20(14)24-22(16)38-24/h9-10,15-16,19-24H,3-8,11-12H2,1-2H3
InChIKey: DNLICDSRATXNKO-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Xanthoparmelia scabrosa | Xanthoparmelia | Parmeliaceae | Lecanorales | Lecanoromycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 588.7040000000003
TPSA？: 118.28
MolLogP？: 2.6082
Number of H-Donors: 0
Number of H-Acceptors: 10
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|