(1R,2S,3S,5R,6R,8S,12R,13S,15R,16S,17R,18S)-18-benzyl-6-hydroxy-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
AlkaPlorer ID: AK392475
Synonym: None
IUPAC Name: [(1R,2S,3S,5R,6R,8S,10E,12R,13S,15R,16S,17S,18S)-18-benzyl-6-hydroxy-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]2O[C@H]2[C@@](C)(O)C(=O)[C@@H](C)C/C=C/[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@@]312
InChI: InChI=1S/C30H37NO7/c1-15-10-9-13-19-24-29(5,38-24)16(2)21-20(14-18-11-7-6-8-12-18)31-27(34)30(19,21)26(36-17(3)32)22-25(37-22)28(4,35)23(15)33/h6-9,11-13,15-16,19-22,24-26,35H,10,14H2,1-5H3,(H,31,34)/b13-9+/t15-,16-,19-,20-,21+,22+,24-,25+,26+,28-,29+,30-/m0/s1
InChIKey: GSPOYKSHFNFUKI-OOLOHIEJSA-N
Reference
Cytochalasins and phytotoxins from the fungus Xylaria obovata
PubChem CID: 163187284
LOTUS: LTS0251230
SuperNatural Ⅲ: SN0114280-09
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Xylaria obovata | 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 |
|---|