Compound Summary
18alpha-Glycyrrhetinic acid
Compound Information
18alpha-Glycyrrhetinic acid
Compound Name: | 18alpha-Glycyrrhetinic acid |
Compound CID: | 73398 |
Synonyms: | 18alpha-Glycyrrhetinic acid 1449-05-4 18|A-Glycyrrhetinic acid 18a-Glycyrrhetic acid 18a-glycyrrhetinic acid More... |
Iupac Name: | (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bS)-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 |
InChI: | InChI=1S/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-/m1/s1 |
InChIKey: | MPDGHEJMBKOTSU-PMTKVOBESA-N |
Canonical Smiles: | CC1(C2CCC3(C(C2(CCC1O)C)C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C |
Isomeric Smiles: | C[C@]12CC[C@](C[C@@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)(C)C(=O)O |
Molecular Weight: | 470.7 |
Molecular Formula: | C30H46O4 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
18alpha-Glycyrrhetinic acid
Molecular Weight: | 470.7 |
Molecular Formula: | C30H46O4 |
Hydrogen Bond Donor Count: | 2 |
Hydrogen Bond Acceptor Count: | 4 |
Rotatable Bond Count: | 1 |
Heavy Atom Count: | 34 |
Complexity: | 965 |
Synonyms
18alpha-Glycyrrhetinic acid
| 18alpha-Glycyrrhetinic acid | 18alpha-Glycyrrhetinic acid |
|---|---|
18alpha-Glycyrrhetinic acid |
1449-05-4 |
18|A-Glycyrrhetinic acid |
18a-Glycyrrhetic acid |
18a-glycyrrhetinic acid |
18-alpha-Olean-12-en-30-oic acid, 3-beta-hydroxy-11-oxo- |
GLYCYRRHETINIC ACID |
Olean-12-en-29-oic acid, 3-hydroxy-11-oxo-, (3beta,18alpha,20beta)- |
(18alpha)-3beta-Hydroxy-11-oxoolean-12-en-30-oic acid |
CCRIS 3963 |
EINECS 215-907-9 |
NSC 35350 |
BRN 2956366 |
b-Glycyrrhetinic acid |
Isoglycyrrhetinic acid |
3-beta-Hydroxy-11-oxo-18-alpha-olean-12-en-30-oic acid |
(3beta,18alpha,20beta)-3-Hydroxy-11-oxoolean-12-en-29-oic acid |
18-Isoglycyrrhetinic acid |
18 alpha-Glycyrrhetinic acid |
18-alpha-Glycyrrhetinic acid |
SCHEMBL352147 |
CHEMBL454067 |
DTXSID20872408 |
BCP09996 |
HY-N0375 |
ZINC3977869 |
7155AA |
MFCD00064897 |
s6456 |
18alpha-Glycyrrhetinic acid, >=95% |
AKOS016036161 |
AKOS037515811 |
CS-8150 |
LMPR0106150026 |
Olean-12-en-29-oic acid, 3-hydroxy-11-oxo-, (3.beta.,18.alpha.,20.beta.)- |
18(c) paragraph sign-Glycyrrhetinic acid |
S00283 |
449G054 |
NSC 35350;NSC 35350;NSC 35350 |
3ss-Hydroxy-11-oxo-18a,20ss-olean-12-en-29-oic acid |
3-Hydroxy-11-oxo-(3beta,18alpha,20beta)-Olean-12-en-29-oic acid |
18alpha-Olean-12-en-30-oic acid, 3beta-hydroxy-11-oxo- (6CI,7CI,8CI) |
18alpha-Glycyrrhetinic acid; 3?-Hydroxy-11-oxo-18?,20?-olean-12-en-29-oic acid |
Experimental Data
18alpha-Glycyrrhetinic acid
| Species | Dose | Unit | Control(Avg days) | Treatment(Avg days) | Avg/Med Lifespan Change(%) | Control(Max days) | Treatment(Max days) | Max Lifespan Change(%) | Significant | Strain | Gender | PubMed | Avg/Med Lifespan Change tab |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 20.000000000000000 | ug/mL | NS | N2 | 33683565 | Inactive | |||||||
| Caenorhabditis elegans | 20.000000000000000 | ug/mL | Unclear | N2 | 33683565 | ||||||||
| Caenorhabditis elegans | 100.000000000000000 | ug/mL | 11.800000000000000 | S | N2 | 33683565 | Active | ||||||
| Caenorhabditis elegans | 20.000000000000000 | ug/mL | 15.600000000000000 | 18.300000000000000 | 0.170000000000000 | S | N2 | 26886723 | Active | ||||
| Caenorhabditis elegans | 100.000000000000000 | ug/mL | 17.000000000000000 | 19.000000000000000 | 0.120000000000000 | S | N2 | 26886723 | Active | ||||
| Caenorhabditis elegans | 20.000000000000000 | ug/mL | 17.300000000000000 | S | N2 | 33683565 | Active | ||||||
| Caenorhabditis elegans | 20.000000000000000 | ug/mL | 2.500000000000000 | NS | N2 | 33683565 | Inactive | ||||||
| Caenorhabditis elegans | 20.000000000000000 | ug/mL | 6.300000000000000 | S | N2 | 33683565 | Active | ||||||
| Caenorhabditis elegans | 10.000000000000000 | ug/mL | -5.900000000000000 | NS | N2 | 33683565 | Inactive | ||||||
| Caenorhabditis elegans | 10.000000000000000 | ug/mL | 17.000000000000000 | 16.000000000000000 | -0.060000000000000 | NS | N2 | 26886723 | Inactive |
Experimental Data Visualization
18alpha-Glycyrrhetinic acid
Statistics Data
18alpha-Glycyrrhetinic acid
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 17.300000000000000 | 2 | 10 |
Statistics Data Visualization
18alpha-Glycyrrhetinic acid
