| Phytochemical Name : Verbenalin |
| PCNDIDV0021 |
| Pubchem CID : 73467 |
| Molecular formula: C17H24O10 |
| Canonical SMILES : CC1CC(=O)C2C1C(OC=C2C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O |
Synonymes : Verbenalin|548-37-8|Cornin|Verbenaloside|Cornin (glycoside)|Verbenalol, beta-D-glucopyranoside|Glucopyranoside, verbenalol, beta-D-|NSC 118055|CHEBI:9954|UNII-71B68181Z6|C17H24O10|71B68181Z6|cornin iridoid|Cyclopenta(c)pyran-4-carboxylic acid, 1,4a,5,6,7,7a-hexahydro-1-(beta-D-glucopyranosyloxy)-7-methyl-5-oxo-, methyl ester, (1S-(1-alpha,4a-alpha,7-alapha,7a-alpha))-|Cyclopenta(c)pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methyl-5-oxo-, methyl ester, (1S-(1alpha,4aalpha,7alpha,7aalpha))-|NSC118055|NSC-118055|CYCLOPENTA(C)PYRAN-4-CARBOXYLIC ACID, 1-(.BETA.-D-GLUCOPYRANOSYLOXY)-1,4A,5,6,7,7A-HEXAHYDRO-7-METHYL-5-OXO-, METHYL ESTER, (1S,4AS,7S,7AR)-|Cyclopenta[c]pyran-4-carboxylic acid, 1-(.beta.-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methyl-5-oxo-, methyl ester, (1S,4aS,7S,7aR)-|Verbenalol glucoside|VERBENALIN [MI]|MLS002473076|SCHEMBL306538|Verbenalol b-D-glucopyranoside|Verbenalin (6CI,7CI,8CI)|Cornin, >=98% (HPLC)|CHEMBL1080178|DTXSID50970143|HMS2198M18|HY-N2014|MFCD00017414|s9301|AKOS015920253|CCG-268497|LMPR0102070016|AC-34497|LS-58152|methyl (1S,4aS,7S,7aR)-7-methyl-5-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4a,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate|SMR001397179|CS-0018334|C09802|Q-100935|Q18559312|Verbenalin, European Pharmacopoeia (EP) Reference Standard|Methyl (1S,4aS,7S,7aR)-1-(beta-D-glucopyranosyloxy)-7-methyl-5-oxo-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.190 |
| Log Po/w (XLOGP3) : -1.500 |
| Log Po/w (WLOGP) : -1.940 |
| Log Po/w (MLOGP) : -1.860 |
| Log Po/w (SILICOS-IT) : -1.600 |
| Consensus Log Po/w : -0.940 |