Cytochalasin B
Representations & DB's id
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| ChEBI: | CHEBI:23527 | |
|---|---|---|
| ChEMBL: | CHEMBL411729 | |
| PubChem: | 5311281 | |
| IUPAC: | (1S,4E,6R,10R,12E,14S,15S,17S,18S,19S)-19-benzyl-6,15-dihydroxy-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/C29H37NO5/c1-18-9-7-13-22(31)15-16-25(32)35-29-23(14-8-10-18)27(33)20(3)19(2)26(29)24(30-28(29)34)17-21-11-5-4-6-12-21/h4-6,8,11-12,14-16,18-19,22-24,26-27,31,33H,3,7,9-10,13,17H2,1-2H3,(H,30,34)/b14-8+,16-15+/t18-,19-,22-,23+,24+,26+,27-,29-/m1/s1 | |
| Standard InChI Key: | GBOGMAARMMDZGR-TYHYBEHESA-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)Cc1ccccc1)C | |
Molecular propeties
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| AlogP: | 3.49 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 3 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 4 | |
| Molecular Weight: | 479.27 | |
| Topological polar surface area: | 95.9 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.552 | |
| Number of carbons: | 29 | |