(1R,2S,5R,7S,9S,11R,12R,13S,15R,16S,17R,18S)-18-benzyl-5-hydroxy-5,7,15,16-tetramethyl-6,20-dioxo-10,14-dioxa-19-azapentacyclo[10.8.0.0¹,¹⁷.0⁹,¹¹.0¹³,¹⁵]icos-3-en-2-yl acetate
AlkaPlorer ID: AK432602
Synonym: None
IUPAC Name: [(1R,2R,3E,5R,7S,9R,11R,12S,13S,15R,16S,17R,18S)-18-benzyl-5-hydroxy-5,7,15,16-tetramethyl-6,20-dioxo-10,14-dioxa-19-azapentacyclo[10.8.0.01,17.09,11.013,15]icos-3-en-2-yl] acetate
Structure
SMILES: CC(=O)O[C@@H]1/C=C/[C@@](C)(O)C(=O)[C@@H](C)C[C@H]2O[C@@H]2[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](CC4=CC=CC=C4)N=C(O)[C@]321
InChI: InChI=1S/C30H37NO7/c1-15-13-20-24(37-20)23-26-29(5,38-26)16(2)22-19(14-18-9-7-6-8-10-18)31-27(34)30(22,23)21(36-17(3)32)11-12-28(4,35)25(15)33/h6-12,15-16,19-24,26,35H,13-14H2,1-5H3,(H,31,34)/b12-11+/t15-,16-,19-,20+,21+,22-,23-,24-,26-,28+,29+,30+/m0/s1
InChIKey: KHJAUVJHBOZECO-QLKSFYHKSA-N
Reference
New cytochalasins from the fungus Xylaria hypoxylon
PubChem CID: 163185381
LOTUS: LTS0176623
SuperNatural Ⅲ: SN0185655-03
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Xylaria hypoxylon | Xylaria | Xylariaceae | Xylariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 523.6260000000002
TPSA？: 121.25
MolLogP？: 3.2090000000000005
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|