| Phytochemical Name : Mollugin |
| PCNDIDM0138 |
| Pubchem CID : 124219 |
| Molecular formula: C17H16O4 |
| Canonical SMILES : CC1(C=CC2=C(O1)C3=CC=CC=C3C(=C2C(=O)OC)O)C |
Synonymes : Mollugin|55481-88-4|Rubimaillin|Methyl 6-hydroxy-2,2-dimethyl-2H-benzo[h]chromene-5-carboxylate|CCRIS 6432|M98N6A8Z2F|C17H16O4|2H-Naphtho(1,2-b)pyran-5-carboxylic acid, 6-hydroxy-2,2-dimethyl-, methyl ester|methyl 6-hydroxy-2,2-dimethylbenzo[h]chromene-5-carboxylate|Rubimailin|Mollugin,(S)|UNII-M98N6A8Z2F|CHEMBL446008|SCHEMBL2115949|Mollugin, >=98% (HPLC)|DTXSID30204059|CHEBI:141063|methyl 6-hydroxy-2,2-dimethyl-benzo[h]chromene-5-carboxylate|HY-N0316|3'-carbomethoxy-4'-hydroxy-6,6-dimethylnaphtho(1',2'-2,3)pyran|MFCD02752331|s9162|AKOS015897118|CCG-267302|AC-34129|BS-49147|LS-188643|CS-0008814|FT-0688300|M3091|A14851|A870182|Q-100638|Z3234884822|methyl 6-hydroxy-2,2-dimethyl-2h-benzeno[h]chromene-5-carboxylate|Methyl 6-hydroxy-2,2-dimethyl-2H-benzo[h]chromene-5-carboxylate #|2H-Naphtho[1,2-b]pyran-5-carboxylate, 2,2-dimethyl-6-hydroxy-, methyl ester |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.870 |
| Log Po/w (XLOGP3) : 4.140 |
| Log Po/w (WLOGP) : 3.410 |
| Log Po/w (MLOGP) : 2.540 |
| Log Po/w (SILICOS-IT) : 3.310 |
| Consensus Log Po/w : 3.250 |