| Phytochemical Name : Nodakenin |
| PCNDIDN0072 |
| Pubchem CID : 73191 |
| Molecular formula: C20H24O9 |
| Canonical SMILES : CC(C)(C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)OC4C(C(C(C(O4)CO)O)O)O |
Synonymes : Nodakenin|495-31-8|(+)-Marmesinin|UNII-S2KTH28M3N|S2KTH28M3N|MLS000563463|CHEBI:7607|CHEMBL459825|Nodakenetin, beta-D-glucopyranoside|(2R)-2-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-7-one|(2R)-2-[1-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-ethyl]-2,3-dihydrofuro[3,2-g]chromen-7-one|AC1L2JF8|nodakenetin glucoside|NODAKENIN [MI]|NODAKENIN, (+)-|cid_73191|MEGxp0_001251|SCHEMBL22099973|DTXSID601318602|HMS2208A17|HMS3886P20|HY-N0825|BDBM50242388|MFCD09953919|s9260|ZB1883|AKOS000276878|Nodakenetin, .beta.-D-glucopyranoside|CCG-268741|NCGC00247564-01|7H-Furo(3,2-g)(1)benzopyran-7-one, 2-(1-(beta-D-glucopyranosyloxy)-1-methylethyl)-2,3-dihydro-, (2R)-|AC-35081|AS-56095|SMR000232306|CS-0009857|C09279|Q-100554|Q27107539|(R)-2-(2-(((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)propan-2-yl)-2,3-dihydro-7H-furo[3,2-g]chromen-7-one|(R)-2-(2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)propan-2-yl)-2H-furo[3,2-g]chromen-7(3H)-one|2-(1-(.BETA.-D-GLUCOPYRANOSYLOXY)-1-METHYLETHYL)-2,3-DIHYDRO-7H-FURO(3,2-G)(1)BENZOPYRAN-7-ONE|2-[1-(beta-D-Glucopyranosyloxy)-1-methylethyl]-2,3-dihydro-7H-furo[3,2-g][1]benzopyran-7-one|7H-FURO(3,2-G)(1)BENZOPYRAN-7-ONE, 2-(1-(.BETA.-D-GLUCOPYRANOSYLOXY)-1-METHYLETHYL)-2,3-DIHYDRO-, (2R)-|7H-Furo[3,2-g][1]benzopyran-7-one, 2-[1-(.beta.-D-glucopyranosyloxy)-1- methylethyl]-2,3-dihydro-, (2R) |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.300 |
| Log Po/w (XLOGP3) : 0.320 |
| Log Po/w (WLOGP) : -0.310 |
| Log Po/w (MLOGP) : -0.560 |
| Log Po/w (SILICOS-IT) : 0.670 |
| Consensus Log Po/w : 0.480 |