Cytochalasin Z11
AlkaPlorer ID: AK069576
Synonym: None
IUPAC Name: (3S,3aS,4S,6S,7S,7aS)-3-benzyl-6,7a-dihydroxy-7-[(E,4S,6S)-6-hydroxy-4-methyl-5-oxohept-1-enyl]-4-methyl-5-methylidene-2,3,3a,4,6,7-hexahydroisoindol-1-one
Structure
SMILES: C=C1[C@@H](C)[C@H]2[C@H](CC3=CC=CC=C3)NC(=O)[C@@]2(O)[C@@H](/C=C/C[C@H](C)C(=O)[C@H](C)O)[C@@H]1O
InChI: InChI=1S/C25H33NO5/c1-14(22(28)17(4)27)9-8-12-19-23(29)16(3)15(2)21-20(26-24(30)25(19,21)31)13-18-10-6-5-7-11-18/h5-8,10-12,14-15,17,19-21,23,27,29,31H,3,9,13H2,1-2,4H3,(H,26,30)/b12-8+/t14-,15+,17-,19-,20-,21-,23+,25+/m0/s1
InChIKey: XKLGDBFKKUIZTH-UPQYTXQESA-N
Reference
Novel Open-Chain Cytochalsins from the Marine-Derived Fungus <i>Spicaria elegans</i>
PubChem CID: 24970396
LOTUS: LTS0242111
SuperNatural Ⅲ: SN0432620-03
NPASS: NPC175870
{NPAtlas: NPA008403
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 427.54100000000017
TPSA？: 106.86
MolLogP？: 1.7900999999999994
Number of H-Donors: 4
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | IC50 | 4300.0 | nM | 10.1021/np070539b |
| Homo sapiens | Bel-7402 | IC50 | 100000.0 | nM | 10.1021/np070539b |
| Homo sapiens | HL-60 | IC50 | 45000.0 | nM | 10.1021/np070539b |
| Mus musculus | P388 | IC50 | 69000.0 | nM | 10.1021/np070539b |