Echinocystic acid - 10mM in DMSO , CAS No.510-30-5

CAS: 510-30-5 Cat. No.: E424390 Molecular Weight: 472.7

GRADE & PURITY 10mM in DMSO

Synonyms

AKOS032962084 | EINECS 208-112-3 | Z3251707616 | C08942 | (3.beta.,16.alpha.)-3,16-Dihydroxyolean-12-en-28-oic acid | OLEAN-12-EN-28-OIC ACID, 3.BETA.,16.ALPHA.-DIHYDROXY- | Echinocystic acid, >=95% | Echinocystic acid | CHEBI:4747 | CCG-269473 | L4DUW10Y

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Echinocystic acid (EA) is a natural triterpene acid derivative. Its dehydrogenation in the presence of selenium has been reported. It has been reported to induce programmed cell death in human HepG2 (human hepatocellular liver carcinoma cell line) cells and human promyelocytic leukemia cells (HL-60). Due to its anticancer action, it is widely used in herbal medicines. EA undergoes oxidation in the presence of chromic acid to afford lactone of 3:12:16-triketo-13-hydroxyoleananonic acid. EA has been reported to be present in the bark and leaves of Pithecellobium dulce.

Echinocystic acid is an active component of Codonopsis lanceolata, which is treated as food and herbal medicine in Asia. Itis also found in fruits of Gleditsia sinensis.

Product Application：

Echinocystic acid (EA) may be used for the synthesis of isonorechinocystenedione, via oxidation in the presence of Kiliani′s reagent.

Specifications

Synonyms

AKOS032962084 | EINECS 208-112-3 | Z3251707616 | C08942 | (3.beta., 16.alpha.)-3, 16-Dihydroxyolean-12-en-28-oic acid | OLEAN-12-EN-28-OIC ACID, 3.BETA., 16.ALPHA.-DIHYDROXY- | Echinocystic acid, >=95% | Echinocystic acid | CHEBI:4747 | CCG-269473 | L4DUW10Y

Specifications & Purity

10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: CC1(CCC2(C(C1)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)O)C)C(=O)O)C
• IUPAC Name: (4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-5,10-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
• InChIKey: YKOPWPOFWMYZJZ-PRIAQAIDSA-N
• INCHI: 1S/C30H48O4/c1-25(2)14-15-30(24(33)34)19(16-25)18-8-9-21-27(5)12-11-22(31)26(3,4)20(27)10-13-28(21,6)29(18,7)17-23(30)32/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20-,21+,22-,23+,27-,28+,29+,30+/m0/s1
• Isomeric SMILES: C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(C[C@H]([C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)O)C)C)(C)C)O
• Molecular Weight: 472.7
• Reaxy-Rn: 2229047
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2229047&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Prenol lipids
      • Subclass Triterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Prenol lipids
• Subclass: Triterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Triterpenoids
• Alternative Parents: Beta hydroxy acids and derivatives Secondary alcohols Cyclic alcohols and derivatives Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Triterpenoid - Beta-hydroxy acid - Hydroxy acid - Cyclic alcohol - Secondary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.
• External Descriptors: Dammarenes

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

CD81 Tchem CD81 antigen (0 Activities)

Discover Target: CD81

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

F3 Tclin Tissue factor (1 Activities)

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HT-29 (80576 Activities)

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SK-OV-3 (52876 Activities)

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SENP1 Tchem Sentrin-specific protease 1 (681 Activities)

Discover Target: SENP1

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SIRT5 Tchem NAD-dependent protein deacylase sirtuin-5, mitochondrial (1056 Activities)

Discover Target: SIRT5

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L02 (4864 Activities)

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Associated Targets(non-human)

Coagulation factor III (5 Activities)

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Mus musculus (284745 Activities)

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Hepatitis C virus (23859 Activities)

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MDCK (10148 Activities)

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L929 (3802 Activities)

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Splenocyte (1641 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 472.700 g/mol
• XLogP3: 6.900
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 472.355 Da
• Monoisotopic Mass: 472.355 Da
• Topological Polar Surface Area: 77.800 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 919.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 9
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Xun Xu, Ruiheng Tang, Lin He, Qidi Wei, Zhinan Mei, Yuanlong Liu.  (2026)  Exploring the substrate promiscuity and functional residues of UGT73 family enzymes in Entada phaseoloides.  PLANT JOURNAL,  125  (4): (e70739).  [PMID:41723860] [10.1111/tpj.70739]