| Identification | Back Directory | [Name]
Rutundic acid | [CAS]
20137-37-5 | [Synonyms]
Rotundic acid
Rutundic acid
I1exo1ic acid
Ilexolic acid A
3β,19,23-Trihydroxyurs-12-en-28-oic acid
3β,19α,23-Trihydroxyurs-12-ene-28-oic acid
(3beta,4alpha)-3,19,23-Trihydroxyurs-12-en-28-oic acid
(1R,2R,4aS,6aS,6bR,8aR,9R,10S,12aR,12bR,14bS)-1,10-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a(2H)-carboxylicaci
(1R,2R,4aS,6aS,6bR,8aR,9R,10S,12aR,12bR,14bS)-1,10-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a(2H)-carboxylic acid | [Molecular Formula]
C30H48O5 | [MDL Number]
MFCD13186912 | [MOL File]
20137-37-5.mol | [Molecular Weight]
488.7 |
| Chemical Properties | Back Directory | [Melting point ]
272-274℃ | [Boiling point ]
622.8±55.0 °C(Predicted) | [density ]
1.19 | [storage temp. ]
4°C, protect from light | [solubility ]
Soluble in DMSO and methanol; | [form ]
powder | [pka]
4.47±0.70(Predicted) | [color ]
White | [Water Solubility ]
insoluble in water | [InChIKey]
YLHQFGOOMKJFLP-UHFFFAOYSA-N | [SMILES]
OC1(C2C(CCC3(C4(C(C5(C(C(C(CC5)O)(CO)C)CC4)C)CC=C32)C)C)(CCC1C)C(=O)O)C |
| Hazard Information | Back Directory | [Chemical Properties]
White crystalline powder, soluble in methanol, ethanol, DMSO and other organic solvents, derived from Ilex pubescens. | [Uses]
Rotundic acid, a triterpenoid obtained from Ilex rotunda Thunb., induces DNA damage and cell apoptosis in hepatocellular carcinoma through AKT/mTOR and MAPK Pathways. Rotundic acid possesses anti-inflammatory and cardio-protective abilities[1]. | [Definition]
ChEBI: A natural product found in Euscaphis japonica. | [IC 50]
mTOR; p38 MAPK | [References]
[1] Roy G, et al. Rotundic Acid Induces DNA Damage and Cell Death in Hepatocellular Carcinoma Through AKT/mTOR and MAPK Pathways. Front Oncol. 2019 Jun 26;9:545. DOI:10.3389/fonc.2019.00545 |
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