Scabrosin; 4'-Butanoyl, 4-Ac
AlkaPlorer ID: AK313009
Synonym: Ambewelamide A, Scabrosin 4-acetate-4'-butyrate
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) butanoate
Structure
SMILES: CCCC(=O)OC1C=C2CC34SSC5(CC6=CC(OC(C)=O)C7OC7C6N5C3=O)C(=O)N4C2C2OC12
InChI: InChI=1S/C24H24N2O8S2/c1-3-4-14(28)32-13-6-11-8-24-22(30)25-15-10(5-12(31-9(2)27)17-19(15)33-17)7-23(25,35-36-24)21(29)26(24)16(11)20-18(13)34-20/h5-6,12-13,15-20H,3-4,7-8H2,1-2H3
InChIKey: OBYDDBDJKUQGLS-UHFFFAOYSA-N
Reference
Ambewelamides A and B, antineoplastic epidithiapiperazinediones isolated from the lichen Usnea sp.
PubChem CID: 78182189
LOTUS: LTS0086763
COCONUT: CNP0163924.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Xanthoparmelia scabrosa | Xanthoparmelia | Parmeliaceae | Lecanorales | Lecanoromycetes | Ascomycota | Fungi | Eukaryota |
| Usnea sp. | Usnea | Parmeliaceae | Lecanorales | Lecanoromycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 532.5960000000002
TPSA？: 118.28
MolLogP？: 1.0477999999999994
Number of H-Donors: 0
Number of H-Acceptors: 10
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|