10-Phenyl-[11]-cytochalasan E
AlkaPlorer ID: AK099763
Synonym: None
IUPAC Name: [(1S,4R,5S,7S,9Z,11R,12S,14S,15R,16S)-16-benzyl-5,12-dihydroxy-5,7,14-trimethyl-13-methylidene-2,18-dioxo-17-azatricyclo[9.7.0.01,15]octadec-9-en-4-yl] acetate
Structure
SMILES: C=C1[C@@H](C)[C@H]2[C@H](CC3=CC=CC=C3)NC(=O)[C@@]23C(=O)C[C@@H](OC(C)=O)[C@@](C)(O)C[C@@H](C)C/C=C\[C@H]3[C@@H]1O
InChI: InChI=1S/C30H39NO6/c1-17-10-9-13-22-27(34)19(3)18(2)26-23(14-21-11-7-6-8-12-21)31-28(35)30(22,26)24(33)15-25(37-20(4)32)29(5,36)16-17/h6-9,11-13,17-18,22-23,25-27,34,36H,3,10,14-16H2,1-2,4-5H3,(H,31,35)/b13-9-/t17-,18+,22-,23-,25+,26-,27+,29-,30-/m0/s1
InChIKey: YQTLQXJVBUFVDY-RXUIYFKQSA-N
Reference
Five 10-phenyl-[11]-cytochalasans from a Daldinia fungal species
PubChem CID: 139586237
LOTUS: LTS0187462
{NPAtlas: NPA011322
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Daldinia sp. | Daldinia | Hypoxylaceae | Xylariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 509.6430000000003
TPSA？: 112.93
MolLogP？: 3.141100000000002
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|