| Phytochemical Name : Maackiain |
| PCNDIDM0001 |
| Pubchem CID : 91510 |
| Molecular formula: C16H12O5 |
| Canonical SMILES : C1C2C(C3=C(O1)C=C(C=C3)O)OC4=CC5=C(C=C24)OCO5 |
Synonymes : Maackiain|(-)-Maackiain|Inermin|2035-15-6|Inermine|L-Maackiain|(+/-)-Maackiain|Maackiaine|CHEBI:99|Trifolirhizin aglycone|(-?)?-Maackiain|19908-48-6|(6ar,12ar)-6a,12a-dihydro-6h-[1,3]dioxolo[5,6][1]benzofuro[3,2-c]chromen-3-ol|TF360D25IJ|3-Hydroxy-8,9-methylenedioxypterocarpan|6H-(1,3)Dioxolo(5,6)benzofuro(3,2-c)(1)benzopyran-3-ol, 6a,12a-dihydro-, (6aR-cis)-|(6aR,12aR)-3-hydroxy-8,9-methylenedioxypterocarpane|(6aR,12aR)-6a,12a-Dihydro-6H-[1,3]dioxolo[4',5':5,6]benzofuro[3,2-c]chromen-3-ol|6a,12a-Dihydro-6H-(1,3)dioxolo(5,6)benzofuro(3,2-c)(1)benzopyran-3-ol|ST077155|D05ODW|UNII-TF360D25IJ|CHEMBL334918|(-)-Maackiain , HPLC Grade|(-)-(6aR,12aR)-maackiain|DTXSID40904139|(1R,12R)-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-16-ol|HY-N6051|BDBM50535076|LMPK12070050|MFCD00270457|AKOS003673403|MS-24036|XM167289|XM167290|CS-0032251|D85120|Q-100245|Q27105234|(6aR,12aR)-6a,12a-dihydro-6H-[1,3]dioxolo[4',5':5,6][1]benzofuro[3,2-c]chromen-3-ol|(1R,12R)-5,7,11,19-tetraoxapentacyclo[10.8.0.0?,??.0?,?.0??,??]icosa-2,4(8),9,13,15,17-hexaen-16-ol|6H-[1,3]Dioxolo[4',5':5,6]benzofuro[3,2-c][1]benzopyran-3-ol, 6a,12a-dihydro-, (6aR,12aR)-|6H-[1,3]Dioxolo[4',5':5,6]benzofuro[3,2-c][1]benzopyran-3-ol, 6a,12a-dihydro-, (6aR-cis)-|6H-[1,3]Dioxolo[4',5':5,6]benzofuro[3,2-c][1]benzopyran-3-ol, 6a.alpha.,12a.alpha.-dihydro-, (-)- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.770 |
| Log Po/w (XLOGP3) : 2.610 |
| Log Po/w (WLOGP) : 2.410 |
| Log Po/w (MLOGP) : 1.710 |
| Log Po/w (SILICOS-IT) : 2.600 |
| Consensus Log Po/w : 2.420 |