NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound18-beta-Glycyrrhetic acid
NPACT-IdNPACT00051
IUPAC(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-hydroxy-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
SynonymsGLYCYRRHETINIC ACID; enoxolone; Uralenic acid; Glycyrrhetin; alpha-Glycyrrhetinic acid; Enoxolonum; Enoxolona; Biosone; 3beta-Hydroxy-11-oxoolean-12-en-30-oic acid; 3-Glycyrrhetinic acid; 3-beta-Hydroxy-11-oxoolean-12-en-30-oic acid; (3beta)-3-hydroxy-11-oxoolean-12-en-30-oic acid; Glycyrrhetinate; 18alpha-Glycyrrhetinic acid; Arthrodont; Enoloxone; Enoxolona; Glyciram; 3beta-Hydroxy-11-oxo-18beta,20beta-olean-12-en-29-oic acid; Jintan; Rhetinic Acid; Hidermart; (3alpha,5xi,8alpha,9xi,17alpha,18xi)-3-hydroxy-11-oxoolean-12-en-29-oic acid; (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-2,4a,6a,6b,9,9,12a-heptamethyl-10-oxidanyl-13-oxidanylidene-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
PubChem Id10114
ClassTerpenoids
In-vitro anticancer activity 3 cancer cell lines
In-Vivo anticancer activity No
TargetsBAX | BCL2 | CASP3 | CYCS |   All | 
Properties Physical   Elemental  Topological
InChi KeyMPDGHEJMBKOTSU-YKLVYJNSSA-N
InChi1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,22-,23+,26+,27-,28-,29+,30+/m0/s1
SMILESO[C@@H]1C([C@H]2[C@@]([C@@H]3[C@]([C@]4(C(=CC3=O)[C@H]3[C@@](CC4)(CC[C@](C3)(C)C(=O)O)C)C)(CC2)C)(CC1)C)(C)C
SMART[H]OC(=O)[C@@]1(C([H])([H])[H])C([H])([H])C([H])([H])[C@]2(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]3(C(=C([H])C(=O)[C@]4([H])[C@@]5(C([H])([H])[H])C([H])([H])C([H])([H])[C@]([H])(O[H])[C@@](C([H])([H])[H])(C([H])([H])[H])[C@]5([H])C([H])([H])C([H])([H])[C@@]34C([H])([H])[H])[C@]2([H])C1([H])[H])C([H])([H])[H]
CAS No.471-53-4
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   471-53-4
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Drug-Likeliness Filters Lipinski's rule of five   No
Ghose filter   No
Veber filter   Yes
Muegge Filter   No
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