| Phytochemical Name : Rhoeadine |
| PCNDIDR0027 |
| Pubchem CID : 197775 |
| Molecular formula: C21H21NO6 |
| Canonical SMILES : CN1CCC2=CC3=C(C=C2C4C1C5=C(C(O4)OC)C6=C(C=C5)OCO6)OCO3 |
Synonymes : Rhoeadine|2718-25-4|Rhoeadin|Rheadine|BRN 0098745|UNII-9Q9C65WH3B|9Q9C65WH3B|8-beta-Methoxy-16-methyl-2,3:10,11-bis(methylenebis(oxy))rheadan|(1R,14R,24S)-24-methoxy-13-methyl-5,7,19,21,25-pentaoxa-13-azahexacyclo[12.11.0.02,10.04,8.015,23.018,22]pentacosa-2,4(8),9,15(23),16,18(22)-hexaene|4-27-00-06897 (Beilstein Handbook Reference)|Rheadan, 8-methoxy-16-methyl-2,3:10,11-bis(methylenebis(oxy))-, (8-beta)-|(+)-Rhoeadine|RHEADINE [MI]|SCHEMBL673349|CHEBI:8836|DTXSID10181652|Rheadan, 8-methoxy-16-methyl-2,3:10,11-bis[methylenebis(oxy)]-, (8.beta.)-|MFCD00075892|AKOS040762281|LS-143501|C09619|Q203455|(8-beta)-8-methoxy-16-methyl-2,3:10,11-bis[methylenebis(oxy)]rheadan|(1,3)DIOXOLO(4,5-H)-1,3-DIOXOLO(7,8)(2)BENZOPYRANO(3,4-A)(3)BENZAZEPINE, 5B,6,7,8,13B,15-HEXAHYDRO-15-METHOXY-6-METHYL-, (5BR,13BR,15S)- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.710 |
| Log Po/w (XLOGP3) : 2.390 |
| Log Po/w (WLOGP) : 1.740 |
| Log Po/w (MLOGP) : 2.080 |
| Log Po/w (SILICOS-IT) : 2.590 |
| Consensus Log Po/w : 2.500 |