General Information of the Compound
| Compound ID |
CP0099120
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| Compound Name |
(3beta,20beta)-20-carboxy-11-oxo-30-norolean-12-en-3-yl-2-O-beta-D-glucopyranuronosyl-alpha-D-glucopyranosiduronic acid
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| Synonyms |
1405-86-3
18-beta-Glycyrrhizic acid
6FO62043WK
BRN 0077922
C42H62O16
CHEBI:15939
CHEMBL441687
DSSTox_CID_27006
DSSTox_GSID_47006
DSSTox_RID_82047
EINECS 215-785-7
GLYCYRRHIZIN
Glycyram
Glycyron
Glycyrrhetinic acid glycoside
Glycyrrhizic acid
Glycyrrhizin [JAN]
Glycyrrhizinic acid
Glycyrrizin
HSDB 496
Liquorice
NSC 167409
NSC 234419
NSC 2800
Rizinsan K2 A2 (free acid)
UNII-6FO62043WK
alpha-D-Glucopyranosiduronic acid, (3beta,20beta)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-
beta-Glycyrrhizin
glycyrrhizin
glyzyrrhizin
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| Structure |
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| Formula |
C42H62O16
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| Molecular Weight |
822.942
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| 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)O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C(O)=O
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| InChI |
InChI=1S/C42H62O16/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54)/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,38+,39-,40-,41+,42+/m0/s1
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| InChIKey |
LPLVUJXQOOQHMX-QWBHMCJMSA-N
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| CAS |
1405-86-3
139014-59-8
18933-02-3
31261-47-9
47897-45-0
47897-48-3
70055-50-4
79165-07-4
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| Physicochemical Property |
"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). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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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 |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01109, 11-beta-hydroxysteroid dehydrogenase 1
Protein ID: PT01107, 11-beta-hydroxysteroid dehydrogenase 1
Protein ID: PT01108, 11-beta-hydroxysteroid dehydrogenase type 2
Clinical Information about the Compound