Scabrosin; 4'-Hexanoyl, 4-Ac
AlkaPlorer ID: AK313012
Synonym: Ambewelamide B, Scabrosin 4-acetate-4'-hexanoate
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) hexanoate
Structure
SMILES: CCCCCC(=O)OC1C=C2CC34SSC5(CC6=CC(OC(C)=O)C7OC7C6N5C3=O)C(=O)N4C2C2OC12
InChI: InChI=1S/C26H28N2O8S2/c1-3-4-5-6-16(30)34-15-8-13-10-26-24(32)27-17-12(7-14(33-11(2)29)19-21(17)35-19)9-25(27,37-38-26)23(31)28(26)18(13)22-20(15)36-22/h7-8,14-15,17-22H,3-6,9-10H2,1-2H3
InChIKey: RKEDAZXFFYMOPX-UHFFFAOYSA-N
Reference
Ambewelamides A and B, antineoplastic epidithiapiperazinediones isolated from the lichen Usnea sp.
PubChem CID: 74433124
LOTUS: LTS0166757
COCONUT: CNP0320367.1
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: 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 |
|---|