6,12-epoxycytochalasin D
AlkaPlorer ID: AK326811
Synonym: None
IUPAC Name: [(1R,2R,3E,5R,7S,9E,11R,12S,13R,14S,15R,16S)-16-benzyl-5,12-dihydroxy-5,7,14-trimethyl-6,18-dioxospiro[17-azatricyclo[9.7.0.01,15]octadeca-3,9-diene-13,2'-oxirane]-2-yl] acetate
Structure
SMILES: CC(=O)O[C@@H]1/C=C/[C@@](C)(O)C(=O)[C@@H](C)C/C=C/[C@H]2[C@H](O)[C@]3(CO3)[C@@H](C)[C@H]3[C@H](CC4=CC=CC=C4)N=C(O)[C@@]312
InChI: InChI=1S/C30H37NO7/c1-17-9-8-12-21-26(34)29(16-37-29)18(2)24-22(15-20-10-6-5-7-11-20)31-27(35)30(21,24)23(38-19(3)32)13-14-28(4,36)25(17)33/h5-8,10-14,17-18,21-24,26,34,36H,9,15-16H2,1-4H3,(H,31,35)/b12-8+,14-13+/t17-,18-,21-,22-,23+,24-,26-,28+,29-,30+/m0/s1
InChIKey: BURGJAXNKDCBTO-CMBSXFQGSA-N
Reference
Cytotoxic cytochalasans from fungus Xylaria longipes
PubChem CID: 146683449
LOTUS: LTS0252835
{NPAtlas: NPA027045
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Xylaria longipes | Xylaria | Xylariaceae | Xylariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 523.6260000000002
TPSA？: 128.95
MolLogP？: 2.9702
Number of H-Donors: 3
Number of H-Acceptors: 7
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|