β-Boswellic acid - analytical standard , CAS No.631-69-6

CAS: 631-69-6 Cat. No.: B139119 분자식: C₃₀H₄₈O₃ 분자량: 456.7

GRADE & PURITY Analytical standard

Synonyms

.BETA.-BOSWELLIC ACID | .BETA.-BOSWELLIC ACID (CONSTITUENT OF BOSWELLIA SERRATA) [DSC] | (3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-3-hydroxy-4,6a,6b,8a,11,12,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4-car

Storage

Store at 2-8°C

Shipped In

Wet ice

개요

β-Boswellic Acid is the principal constituent of frankincense (olibanum). It is also an inhibitor of 5-L
An inhibitor of 5-LO and principal constituent of frankincense

Specifications

동의어

.BETA.-BOSWELLIC ACID | .BETA.-BOSWELLIC ACID (CONSTITUENT OF BOSWELLIA SERRATA) [DSC] | (3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-3-hydroxy-4,6a,6b,8a,11,12,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4-car

사양 및 순도

analytical standard

보관 조건

Store at 2-8°C

배송

Wet ice

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등급

분석 표준물질

작업 유형

INHIBITOR

이름과 식별자

• Pubchem Sid: 508811307
• 정식 스마일: CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C(=O)O)O)C)C)C2C1C)C)C
• IUPAC Name: (3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-3-hydroxy-4,6a,6b,8a,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picene-4-carboxylic acid
• InChIKey: NBGQZFQREPIKMG-PONOSELZSA-N
• INCHI: 1S/C30H48O3/c1-18-10-13-26(3)16-17-28(5)20(24(26)19(18)2)8-9-21-27(4)14-12-23(31)30(7,25(32)33)22(27)11-15-29(21,28)6/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21-,22-,23-,24+,26-,27-,28-,29-,30-/m1/s1
• 이성체 SMILES: C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@H]([C@]5(C)C(=O)O)O)C)C)[C@@H]2[C@H]1C)C)C
• 분자량: 456.7
• Reaxy-Rn: 3491640
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3491640&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: Prenol lipids
• Subclass: Triterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Triterpenoids
• Alternative Parents: Hydroxysteroids 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 - 15-hydroxysteroid - Hydroxysteroid - Steroid - Beta-hydroxy acid - Hydroxy acid - Cyclic alcohol - Secondary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Alcohol - Organooxygen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Aliphatic homopolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.
• External Descriptors: Not available

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

관련 대상(인간)

ALOX5 Tclin Arachidonate 5-lipoxygenase (6568 Activities)

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PTGS1 Tclin Cyclooxygenase-1 (9233 Activities)

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PTGS2 Tclin Cyclooxygenase-2 (13999 Activities)

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PTPN2 Tchem T-cell protein-tyrosine phosphatase (1317 Activities)

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ALOX15B Tchem Arachidonate 15-lipoxygenase, type II (7244 Activities)

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COLO 205 (50209 Activities)

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DU-145 (51482 Activities)

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HL-60 (67320 Activities)

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HT-29 (80576 Activities)

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MCF7 (126967 Activities)

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PC-3 (62116 Activities)

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HEp-2 (3859 Activities)

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HeLa (62764 Activities)

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SW-620 (52400 Activities)

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PBMC (10003 Activities)

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APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

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BAZ2B Tchem Bromodomain adjacent to zinc finger domain protein 2B (56204 Activities)

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SENP1 Tchem Sentrin-specific protease 1 (681 Activities)

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관련 대상(비인간)

PTGES Prostaglandin E synthase (10 Activities)

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PREP Prolyl endopeptidase (14 Activities)

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Ptpn1 Protein-tyrosine phosphatase 1B (270 Activities)

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Streptococcus (3973 Activities)

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Plasmodium falciparum (966862 Activities)

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Mus musculus (284745 Activities)

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Rattus norvegicus (775804 Activities)

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Streptococcus sp. 'group A' (3417 Activities)

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GCN5 Histone acetyltransferase GCN5 (89 Activities)

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Brain (1 Activities)

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Plasma (328 Activities)

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ska Streptokinase A (5805 Activities)

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작용 메커니즘

화학 및 물리적 특성

• 녹는점(°C): 220-223°C
• 분자량: 456.700 g/mol
• XLogP3: 8.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 456.36 Da
• Monoisotopic Mass: 456.36 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 878.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 11
• 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

참고 문헌

1. Aiwen Shi, Bin Qi, Xiaolei Tang, Li Liu, Chang Wang, Ziyi Jia.  (2025)  Qualitative and quantitative analysis of the changes in chemical composition of frankincense before and after stir-frying using GC-MS and LC-MS.  Analytical Methods,      [PMID:39963767] [10.1039/D4AY01742K]