| Phytochemical Name : Glyceollin |
| PCNDIDG0110 |
| Pubchem CID : 162807 |
| Molecular formula: C20H18O5 |
| Canonical SMILES : CC1(C=CC2=C(O1)C=CC3=C2OCC4(C3OC5=C4C=CC(=C5)O)O)C |
Synonymes : Glyceollin|glyceollin I|(-)-Glyceollin I|57103-57-8|UNII-6461TV6UCH|6461TV6UCH|CHEBI:16470|66241-09-6|(-) - glyceollin I|Glyceollins|Glyceolin|(6aS,11aS)-2,2-dimethyl-2H,6H-[1]benzofuro[3,2-c]pyrano[2,3-h]chromene-6a,9(11aH)-diol|UNII-Y43CLK47RO|C01701|Y43CLK47RO|SCHEMBL364885|CHEMBL1774987|DTXSID10205726|LMPK12070123|XG161768|Q5572526|2H,6H-Benzofuro(3,2-c)pyrano(2,3-h)(1)benzopyran-6a,9(11aH)-diol, 2,2-dimethyl-|(2S,10S)-17,17-dimethyl-3,12,18-trioxapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-1(13),4(9),5,7,14(19),15,20-heptaene-6,10-diol|2H,6H-BENZOFURO(3,2-C)PYRANO(2,3-H)(1)BENZOPYRAN-6A,9(11AH)-DIOL, 2,2-DIMETHYL-, (6AS,11AS)-|2H,6H-BENZOFURO(3,2-C)PYRANO(2,3-H)(1)BENZOPYRAN-6A,9(11AH)-DIOL, 2,2-DIMETHYL-, (6AS-CIS)- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.740 |
| Log Po/w (XLOGP3) : 2.480 |
| Log Po/w (WLOGP) : 2.750 |
| Log Po/w (MLOGP) : 1.900 |
| Log Po/w (SILICOS-IT) : 3.100 |
| Consensus Log Po/w : 2.590 |