| Phytochemical Name : Aklavinone |
| PCNDIDA0041 |
| Pubchem CID : 159776 |
| Molecular formula: C22H20O8 |
| Canonical SMILES : CCC1(CC(C2=C(C3=C(C=C2C1C(=O)OC)C(=O)C4=C(C3=O)C(=CC=C4)O)O)O)O |
Synonymes : Aklavinone|Aclavinone|Aklavinon|Antibiotic MA 144D1|16234-96-1|CCRIS 7635|NSC 114780|1-naphthacenecarboxylic acid, 2-ethyl-1,2,3,4,6,11-hexahydro-2,4,5,7-tetrahydroxy-6,11-dioxo-, methyl ester, (1R,2R,4S)-|J8NH9FR49N|methyl (1R,2R,4S)-2-ethyl-2,4,5,7-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate|1-Naphthacenecarboxylic acid, 2-ethyl-1,2,3,4,6,11-hexahydro-2,4,5,7-tetrahydroxy-6,11-dioxo-, methyl ester, (1R,2R,4S)- (8CI)|NSC-114780|Aklavinone (6CI,7CI)|UNII-J8NH9FR49N|SCHEMBL116665|CHEBI:31181|methyl 2-ethyl-2,4,5,7-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate|AKOS040750267|methyl (1R,2R,4S)-2-ethyl-2,4,5,7-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate|LS-188460|Q27114195|1-Naphthacenecarboxylic acid, 2-ethyl-1,2,3,4,6,11-hexahydro-2,4,5,7-tetrahydroxy-6,11-dioxo-, methyl ester, (1R,2R,4S)- (8CI,9CI)|1-Naphthacenecarboxylic acid, 2-ethyl-1,2,3,4,6,11-hexahydro-2,4,5,7-tetrahydroxy-6,11-dioxo-, methyl ester, [1R-(1.alpha.,2.beta.,4.beta.)]-|1-Naphthacenecarboxylic acid, 2-ethyl-1,2,3,4,6,11-hexahydro-2,4,5,7-tetrahydroxy-6,11-dioxo-, methyl ester, [1R-(1alpha,2beta,4beta)]-|METHYL (1R,2R,4S)-2-ETHYL-1,2,3,4,6,11-HEXAHYDRO-2,4,5,7-TETRAHYDROXY-6,11-DIOXO-1-NAPHTHACENECARBOXYLATE |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.990 |
| Log Po/w (XLOGP3) : 2.460 |
| Log Po/w (WLOGP) : 1.380 |
| Log Po/w (MLOGP) : 0.060 |
| Log Po/w (SILICOS-IT) : 2.580 |
| Consensus Log Po/w : 1.900 |