Ketocytochalasin
AlkaPlorer ID: AK097355
Synonym: None
IUPAC Name: (1R,3Z,5S,7S,9Z,11S,14S,15R,16S)-16-benzyl-5,7,13,14-tetramethyl-17-azatricyclo[9.7.0.01,15]octadeca-3,9,12-triene-2,6,18-trione
Structure
SMILES: CC1=C[C@@H]2/C=C\C[C@H](C)C(=O)[C@@H](C)/C=C\C(=O)[C@@]23C(=O)N[C@@H](CC2=CC=CC=C2)[C@@H]3[C@@H]1C
InChI: InChI=1S/C28H33NO3/c1-17-9-8-12-22-15-19(3)20(4)25-23(16-21-10-6-5-7-11-21)29-27(32)28(22,25)24(30)14-13-18(2)26(17)31/h5-8,10-15,17-18,20,22-23,25H,9,16H2,1-4H3,(H,29,32)/b12-8-,14-13-/t17-,18-,20+,22-,23-,25-,28-/m0/s1
InChIKey: MZRDRLOYHFZNCS-FSHFVSEHSA-N
Reference
Cytotoxic Cytochalasins from Marine-Derived Fungus Arthrinium arundinis
PubChem CID: 139586490
LOTUS: LTS0119026
{NPAtlas: NPA012164
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Arthrinium | Apiosporaceae | Xylariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 431.57600000000014
TPSA？: 63.24
MolLogP？: 4.468800000000003
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|