Scabrosin; Dibutanoyl
AlkaPlorer ID: AK313011
Synonym: Scabrosin 4,4'-dibutyrate
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) butanoate
Structure
SMILES: CCCC(=O)OC1C=C2CC34SSC5(CC6=CC(OC(=O)CCC)C7OC7C6N5C3=O)C(=O)N4C2C2OC12
InChI: InChI=1S/C26H28N2O8S2/c1-3-5-15(29)33-13-7-11-9-25-23(31)28-18-12(8-14(20-22(18)36-20)34-16(30)6-4-2)10-26(28,38-37-25)24(32)27(25)17(11)21-19(13)35-21/h7-8,13-14,17-22H,3-6,9-10H2,1-2H3
InChIKey: VGXSFXYHPSOFJY-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Xanthoparmelia scabrosa | Xanthoparmelia | Parmeliaceae | Lecanorales | Lecanoromycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 560.6500000000003
TPSA？: 118.28
MolLogP？: 1.828
Number of H-Donors: 0
Number of H-Acceptors: 10
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|