Cepharanthine
Representations & DB's id
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| ChEBI: | CHEBI:3546 | |
|---|---|---|
| ChEMBL: | CHEMBL449782 | |
| PubChem: | 10206 | |
| IUPAC: | (14S,27R)-22,33-dimethoxy-13,28-dimethyl-2,5,7,20-tetraoxa-13,28-diazaoctacyclo[25.6.2.216,19.13,10.121,25.04,8.031,35.014,39]nonatriaconta-1(33),3(39),4(8),9,16(38),17,19(37),21,23,25(36),31,34-dodecaene | |
| Standard InChI: | InChI=1S/C37H38N2O6/c1-38-13-11-24-18-31(41-4)33-20-27(24)28(38)16-23-7-10-30(40-3)32(17-23)44-26-8-5-22(6-9-26)15-29-35-25(12-14-39(29)2)19-34-36(37(35)45-33)43-21-42-34/h5-10,17-20,28-29H,11-16,21H2,1-4H3/t28-,29+/m1/s1 | |
| Standard InChI Key: | YVPXVXANRNDGTA-WDYNHAJCSA-N | |
| SMILES: | COc1cc2CCN([C@H]3c2cc1Oc1c2c(CCN([C@H]2Cc2ccc(Oc4cc(C3)ccc4OC)cc2)C)cc2c1OCO2)C | |
Molecular propeties
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| AlogP: | 6.87 | |
|---|---|---|
| Hydrogen bonds acceptors: | 8 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 9 | |
| Molecular Weight: | 606.27 | |
| Topological polar surface area: | 61.9 | |
| Number of aromatic rings: | 4 | |
| Fsp3: | 0.351 | |
| Number of carbons: | 37 | |