| Phytochemical Name : Carbenoxolone |
| PCNDIDC0048 |
| Pubchem CID : 636403 |
| Molecular formula: C34H50O7 |
| Canonical SMILES : CC1(C2CCC3(C(C2(CCC1OC(=O)CCC(=O)O)C)C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C |
Synonymes : carbenoxolone|5697-56-3|Carbenoxolona|Carbenoxolonum|UNII-MM6384NG73|MM6384NG73|Carbenoxolone (INN)|Carbenoxolone [INN:BAN]|CARBENOXOLONE [INN]|Carbenoxolonum [INN-Latin]|Carbenoxolona [INN-Spanish]|EINECS 227-174-2|Glycyrrhetinic acid hydrogen succinate|3beta-Hydroxy-11-oxoolean-12-en-30-saeure hydogensuccinat|3beta-(3-Carboxypropionyloxy)-11-oxo-olean-12-en-30-saeure|3-beta-(3-Carboxypropionyloxy)-11-oxo-olean-12-en-30-oic acid|C34-H50-O7|Olean-12-en-29-oic acid, 3-(3-carboxy-1-oxopropoxy)-11-oxo-, (3.beta.,20.beta.)-|Prestwick0_000837|Prestwick1_000837|Prestwick2_000837|Prestwick3_000837|CARBENOXOLONE [MI]|D0L4VR|SCHEMBL76013|BSPBio_000793|SPBio_002714|3-beta-hydroxy-11-oxoolean-12-en-30-oic acid hydrogen succinate|CARBENOXOLONE [WHO-DD]|BPBio1_000873|CHEMBL499915|GTPL4151|DTXSID4022733|Olean-12-en-30-oic acid, 3-beta-hydroxy-11-oxo-, hydrogen succinate|Olean-12-en-30-oic acid, 3.beta.-hydroxy-11-oxo-, hydrogen succinate|(3-beta,20-beta)-3-(3-Carboxy-1-oxopropoxy)-11-oxoolean-12-en-29-oic acid|Olean-12-en-29-oic acid, 3-(3-carboxy-1-oxopropoxy)-11-oxo-, (3beta,20beta)-|Biogastrone; Bioral; Carbenoxolona|BCP29160|HY-B1588|BDBM50247012|AKOS015951361|AKOS016036240|DB02329|(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-(4-hydroxy-4-oxobutanoyl)oxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid|CS-0013487|3beta-O-Succinyl-18-beta-glycyrrhetinic acid|D07615|Q752861|BRD-K12765235-304-03-8|3.beta.-Hydroxy-11-oxoolean-12-en-30-oic acid 3-hemisuccinate|(3beta)-3-[(3-carboxypropanoyl)oxy]-11-oxoolean-12-en-30-oic acid|3.BETA.-HYDROXY-11-OXOOLEAN-12-EN-30-OIC ACID HYDROGEN SUCCINATE|Olean-12-en-29-oic acid, 3-(3-carboxy-1-oxopropoxy)-11-oxo-,(3b,20b)-|OLEAN-12-EN-29-OIC ACID, 3-(3-CARBOXY-1-OXOPROPOXY)-11-OXO, (3.BETA.,20.BETA.)- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.450 |
| Log Po/w (XLOGP3) : 5.500 |
| Log Po/w (WLOGP) : 6.830 |
| Log Po/w (MLOGP) : 4.630 |
| Log Po/w (SILICOS-IT) : 5.850 |
| Consensus Log Po/w : 5.250 |