| Phytochemical Name : 14-Deoxyandrographolide |
| PCNDIDOT0401 |
| Pubchem CID : 11624161 |
| Molecular formula: C20H30O4 |
| Canonical SMILES : CC12CCC(C(C1CCC(=C)C2CCC3=CCOC3=O)(C)CO)O |
Synonymes : 14-deoxyandrographolide|4176-97-0|WLN91FAQ6Z|UNII-WLN91FAQ6Z|NP-011179|AD-04130-4|4-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one|2(5H)-Furanone, 3-(2-((1R,4aS,5R,6R,8aS)-decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl)ethyl)-|3-(2-((1R,4aS,5R,6R,8aS)-Decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl)ethyl)-2(5H)-furanone|CHEMBL415768|DTXSID80904638|HY-N4323|AKOS027324400|3-(2-((1R,4aS,5R,6R,8aS)-6-Hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylenedecahydronaphthalen-1-yl)ethyl)furan-2(5H)-one|3-{2-[(1R,4aS,5R,6R,8aS)-6-Hydroxy-5-(hydroxymethyl)-5,8a-dimethy l-2-methylenedecahydro-1-naphthalenyl]ethyl}-2(5H)-furanone|AC-34626|MS-25054|CS-0032748|F21512|A913391|Ent-3beta-hydroxy-8(17),13(14)-labdadiene-16,15-olide 14-deoxyandrographolide|2(5H)-Furanone,3-[2-[(1R,4aS,5R,6R,8aS)-decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethyl]-|3-[2-[(1R,4abeta)-2-Methylene-5alpha-(hydroxymethyl)-5,8aalpha-dimethyl-6alpha-hydroxydecalin-1alpha-yl]ethyl]-2,5-dihydrofuran-2-one |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.910 |
| Log Po/w (XLOGP3) : 3.430 |
| Log Po/w (WLOGP) : 2.990 |
| Log Po/w (MLOGP) : 2.810 |
| Log Po/w (SILICOS-IT) : 3.720 |
| Consensus Log Po/w : 3.170 |