Cytochalasin Z5
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL512971 | |
| PubChem: | 21574192 | |
| IUPAC: | (1S,4E,6R,10R,12E,14S,15S,17S,18S,19S)-6,15-dihydroxy-19-[(4-hydroxyphenyl)methyl]-10,17-dimethyl-16-methylidene-2-oxa-20-azatricyclo[12.7.0.01,18]henicosa-4,12-diene-3,21-dione | |
| Standard InChI: | InChI=1S/C29H37NO6/c1-17-6-4-8-21(31)14-15-25(33)36-29-23(9-5-7-17)27(34)19(3)18(2)26(29)24(30-28(29)35)16-20-10-12-22(32)13-11-20/h5,9-15,17-18,21,23-24,26-27,31-32,34H,3-4,6-8,16H2,1-2H3,(H,30,35)/b9-5+,15-14+/t17-,18-,21-,23+,24+,26+,27-,29-/m1/s1 | |
| Standard InChI Key: | AJMKPZXRIKVSAQ-LFOGIAMQSA-N | |
| SMILES: | C[C@@H]1CCC[C@@H](O)/C=C/C(=O)O[C@@]23[C@@H](/C=C/C1)[C@H](O)C(=C)[C@H]([C@H]3[C@@H](N=C2O)Cc1ccc(cc1)O)C | |
Molecular propeties
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| AlogP: | 3.2 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 4 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 4 | |
| Molecular Weight: | 495.26 | |
| Topological polar surface area: | 116 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.552 | |
| Number of carbons: | 29 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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