| Phytochemical Name : Fumariline |
| PCNDIDF0056 |
| Pubchem CID : 159888 |
| Molecular formula: C20H17NO5 |
| Canonical SMILES : CN1CCC2=CC3=C(C=C2C14CC5=C(C4=O)C6=C(C=C5)OCO6)OCO3 |
Synonymes : Fumariline|Fumarilin|20411-03-4|(+)-Fumariline|BRN 1093115|(7S)-6'-methylspiro[6H-cyclopenta[g][1,3]benzodioxole-7,5'-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline]-8-one|Spiro(1,3-dioxolo(4,5-g)isoquinoline-5(6H),7'-(7H)indeno(4,5-d)(1-3)dioxol)-8'(6'H)-one, 7,8-dihydro-6-methyl-, (S)-|Spiro[1,3-dioxolo[4,5-g]isoquinoline-5(6H),7'-[7H]indeno[4,5-d][1,3]dioxol]-8'(6'H)-one, 7,8-dihydro-6-methyl-, (S)-|DTXSID90942581|LS-146119|6-Methyl-7,8-dihydro-2H,2'H,6H-spiro[1,3-dioxolo[4,5-g]isoquinoline-5,7'-indeno[4,5-d][1,3]dioxol]-8'(6'H)-one|Spiro(1,3-dioxolo(4,5-g)isoquinoline-5(6H),7'-(7H)indeno(4,5-d)(1-3)dioxol)-8'(6'H)-one,7,8-dihydro-6-methyl-, (S)-|Spiro[1,3-dioxolo[4,5-g]isoquinoline-5(6H),7'-[7H]indeno[4,5-d][1,3]dioxol]-8'(6'H)-one, 7,8-dihydro-6-methyl-, (+)- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.840 |
| Log Po/w (XLOGP3) : 2.980 |
| Log Po/w (WLOGP) : 1.780 |
| Log Po/w (MLOGP) : 1.900 |
| Log Po/w (SILICOS-IT) : 3.460 |
| Consensus Log Po/w : 2.590 |