General Information of the Compound
Compound ID
CP0062733
Compound Name
3beta-O-Succinyl-18-beta-glycyrrhetinic acid
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Synonyms
(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
3beta-(3-Carboxypropionyloxy)-11-oxo-olean-12-en-30-saeure
3beta-Hydroxy-11-oxoolean-12-en-30-saeure hydogensuccinat
5697-56-3
CBO
Carbenoxolona
Carbenoxolona [INN-Spanish]
Carbenoxolone
Carbenoxolone [INN:BAN]
Carbenoxolonum
Carbenoxolonum [INN-Latin]
EINECS 227-174-2
MM6384NG73
OBZHEBDUNPOCJG-WBXJDKIVSA-N
UNII-MM6384NG73
carbenoxolone
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Structure
Formula
C34H50O7
Molecular Weight
570.767
Canonical SMILES
CC1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O)OC(=O)CCC(O)=O
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InChI
InChI=1S/C34H50O7/c1-29(2)23-10-13-34(7)27(32(23,5)12-11-24(29)41-26(38)9-8-25(36)37)22(35)18-20-21-19-31(4,28(39)40)15-14-30(21,3)16-17-33(20,34)6/h18,21,23-24,27H,8-17,19H2,1-7H3,(H,36,37)(H,39,40)/t21-,23-,24-,27+,30+,31-,32-,33+,34+/m0/s1
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InChIKey
OBZHEBDUNPOCJG-WBXJDKIVSA-N
CAS
5697-56-3
Physicochemical Property
logP
6.8283
Rotatable Bonds
5
Heavy Atom Count
41
Polar Areas
117.97
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
41

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 636403
SID: 16767811
ChEMBL ID
CHEMBL499915
DrugBank ID
DB02329
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01109, 11-beta-hydroxysteroid dehydrogenase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 243 nM
   TI
   LI
   LO
   TS
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 250 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 108 nM
Protein ID: PT01107, 11-beta-hydroxysteroid dehydrogenase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 500 nM
   TI
   LI
   LO
   TS
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  2
1
IC50 = 500 nM
   TI
   LI
   LO
   TS
2
IC50 = 1630 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 40 nM
2 IC50 = 83 nM
3 IC50 = 330 nM
Protein ID: PT01111, 11-beta-hydroxysteroid dehydrogenase type 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
EC50 = 82 nM
   TI
   LI
   LO
   TS
2
IC50 = 82 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Carbenoxolone )
Drug Name Carbenoxolone
Target(s)
Corticosteroid 11-beta-dehydrogenase 1 (HSD11B1)
Inhibitor