| Phytochemical Name : Cepharanthine |
| PCNDIDC0094 |
| Pubchem CID : 10206 |
| Molecular formula: C37H38N2O6 |
| Canonical SMILES : CN1CCC2=CC3=C(C4=C2C1CC5=CC=C(C=C5)OC6=C(C=CC(=C6)CC7C8=CC(=C(C=C8CCN7C)OC)O4)OC)OCO3 |
Synonymes : CEPHARANTHINE|481-49-2|Cepharanthin|(+)-Cepharanthine|O-Methylcepharanoline|Cepharantin|Cepharanthine [JAN]|C37H38N2O6|6',12'-Dimethoxy-2,2'-dimethyl-6,7-(methylenebis(oxy))oxyacanthan|NSC-623442|CCRIS 6539|NSC 623442|BRN 0075231|UNII-7592YJ0J6T|CHEBI:3546|DTXSID6045957|7592YJ0J6T|NSC623442|Cepharanthine (JAN)|(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|Oxyacanthan, 6',12'-dimethoxy-2,2'-dimethyl-6,7-(methylenebis(oxy))-|ecaene (non-preferred name)|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|4-27-00-09061 (Beilstein Handbook Reference)|DTXCID4025957|CAS-481-49-2|SR-01000779734|Cepharanthin,(S)|NCGC00095194-01|(14S,27R)-22,33-dimethoxy-13,28-dimethyl-2,5,7,20-tetraoxa-13,28-diazaoctacyclo[25.6.2.2~16,19~.1~3,10~.1~21,25~.0~4,8~.0~14,39~.0~31,35~]nonatriaconta-1(33),3,8,10(39),16,18,21(36),22,24,31,34,37-dod|Cepharanthine (TN)|Spectrum2_000832|Spectrum3_001963|12-O-Methylcepharanoline|CEPHARANTHINE [MI]|UPCMLD-DP054|BSPBio_003563|MLS000728518|SCHEMBL154545|SPECTRUM1505322|SPBio_000783|CEPHARANTHINE [WHO-DD]|CHEMBL449782|UPCMLD-DP054:001|KBio3_002909|Cepharanthine, >=95% (HPLC)|Cepharanthine, >=98% (HPLC)|HMS1922J12|HMS2232F21|Pharmakon1600-01505322|HY-N6972|Tox21_111483|BBL030154|BDBM50423643|CCG-40294|MFCD00210482|NSC758965|s4238|STK801907|AKOS004119865|Tox21_111483_1|NSC-758965|SDCCGMLS-0066893.P001|NCGC00161621-01|NCGC00161621-02|NCGC00161621-03|NCGC00161621-05|NCGC00161621-13|AC-15206|AS-17451|LS-52756|SMR000445632|SBI-0207049.P001|CS-0007138|M2968|C09391|D01035|AB00643356_08|AB00643356_09|A871948|Q-100524|SR-01000779734-3|SR-01000779734-4|BRD-K96194081-001-06-0|Q15410888|C1CN(C)C2Cc3ccc(OC)c(Oc4ccc(cc4)CC5N(C)CCc6cc7OCOc7c(Oc8cc2c1cc8OC)c56)c3|(14S,27R)-22,33-dimethoxy-13,28-dimethyl-2,5,7,20-tetraoxa-13,28-diazaoctacyclo[25.6.2.2(16,19).1(3,10).1(21,25).0(4,8).0(14,39).0(31,35)]nonatriaconta-1(33),3,8,10(39),16,18,21(36),22,24,31,34,37-dodecaene|(14S,27R)-22,33-dimethoxy-13,28-dimethyl-2,5,7,20-tetraoxa-13,28-diazaoctacyclo[25.6.2.2??,??.1?,??.1??,??.0?,?.0??,??.0??,??]nonatriaconta-1(33),3,8,10(39),16,18,21(36),22,24,31,34,37-dodecaene |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 5.140 |
| Log Po/w (XLOGP3) : 6.540 |
| Log Po/w (WLOGP) : 5.460 |
| Log Po/w (MLOGP) : 3.960 |
| Log Po/w (SILICOS-IT) : 5.710 |
| Consensus Log Po/w : 5.360 |