Xylobovatin
AlkaPlorer ID: AK065944
Synonym: None
IUPAC Name: [(1R,2S,3R,6S,8S,10Z,12R,13S,15R,17S,18S)-18-benzyl-6,8,15,16-tetramethyl-7,20-dioxo-4,14-dioxa-19-azapentacyclo[10.8.0.01,17.03,5.013,15]icos-10-en-2-yl] acetate
Structure
SMILES: CC(=O)O[C@@H]1[C@@H]2OC2[C@H](C)C(=O)[C@@H](C)C/C=C\[C@H]2[C@@H]3O[C@]3(C)C(C)[C@@H]3[C@H](CC4=CC=CC=C4)N=C(O)[C@]132
InChI: InChI=1S/C30H37NO6/c1-15-10-9-13-20-26-29(5,37-26)17(3)22-21(14-19-11-7-6-8-12-19)31-28(34)30(20,22)27(35-18(4)32)25-24(36-25)16(2)23(15)33/h6-9,11-13,15-17,20-22,24-27H,10,14H2,1-5H3,(H,31,34)/b13-9-/t15-,16+,17?,20-,21-,22+,24?,25+,26-,27+,29+,30-/m0/s1
InChIKey: ZVDZUUFSGNTNLH-YURNYXGGSA-N
Reference
Cytochalasins and phytotoxins from the fungus Xylaria obovata
PubChem CID: 139587662
LOTUS: LTS0269530
{NPAtlas: NPA016419
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Xylaria obovata | Xylaria | Xylariaceae | Xylariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 507.6270000000002
TPSA？: 101.02
MolLogP？: 4.094100000000003
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|