| Phytochemical Name : Santamarine |
| PCNDIDS0040 |
| Pubchem CID : 188297 |
| Molecular formula: C15H20O3 |
| Canonical SMILES : CC1=CCC(C2(C1C3C(CC2)C(=C)C(=O)O3)C)O |
Synonymes : Santamarine|Santamarin|4290-13-5|Balchanin|(+)-santamarine|(3aS,5aR,6R,9aS,9bS)-6-hydroxy-5a,9-dimethyl-3-methylidene-3a,4,5,5a,6,7,9a,9b-octahydronaphtho[1,2-b]furan-2(3H)-one|(3aS,5aR,6R,9aS,9bS)-6-hydroxy-5a,9-dimethyl-3-methylidene-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one|UNII-15D6KW291H|CHEBI:9023|15D6KW291H|Santamarin;Balchanin|(3aS)-2,3,3abeta,4,5,5a,6,7,9abeta,9balpha-Decahydro-6alpha-hydroxy-5aalpha,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2-one|Naphtho(1,2-b)furan-2(3H)-one, 3a,4,5,5a,6,7,9a,9b-octahydro-6-hydroxy-5a,9-dimethyl-3-methylene-, (3aS,5aR,6R,9aS,9bS)-|CHEMBL89311|SCHEMBL2551388|DTXSID70911513|Eudesma-3,11(13)-dien-12-oic acid, 1.beta.,6.alpha.-dihydroxy-, .gamma.-lactone|HY-N1326|NAPHTHO(1,2-B)FURAN-2(3H)-ONE, 3A,4,5,5A,6,7,9A,9B-OCTAHYDRO-6-HYDROXY-5A,9-DIMETHYL-3-METHYLENE-, (3AS-(3A.ALPHA.,5A.BETA.,6.BETA.,9A.ALPHA.,9B.BETA.))-|AKOS032948408|CS-0016730|C09544|Q27089375|Eudesma-3,11(13)-dien-12-oic acid, 1beta,6alpha-dihydroxy-, gamma-lactone|(3aS,5aR,6R,9aS,9bS)-6-Hydroxy-5a,9-dimethyl-3-methylene-3a,4,5,5a,6,7,9a,9b-octahydro-3H-naphtho[1,2-b]furan-2-one|(3aS,5aR,6R,9aS,9bS)-6-hydroxy-5a,9-dimethyl-3-methylene-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g]benzofuran-2-one|(3AS,5AR,6R,9AS,9BS)-6-HYDROXY-5A,9-DIMETHYL-3-METHYLIDENE-2H,3H,3AH,4H,5H,5AH,6H,7H,9AH,9BH-NAPHTHO[1,2-B]FURAN-2-ONE|Naphtho(1,2-b)furan-2(3H)-one, 3a,4,5,5a,6,7,9a,9b-octahydro-6-hydroxy-5a,9-dimethyl-3-methylene-, (3aS-(3aalpha,5abeta,6beta,9aalpha,9bbeta))-|Naphthol]1,2-b]furan-2(3H)-one,3a,4,5,5a,6,7,9a,9b-octahydro-6-hydroxy-5a,9-dimethyl-3-methylene |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 2.340 |
| Log Po/w (XLOGP3) : 1.990 |
| Log Po/w (WLOGP) : 2.210 |
| Log Po/w (MLOGP) : 2.470 |
| Log Po/w (SILICOS-IT) : 2.340 |
| Consensus Log Po/w : 2.270 |

