A-beta-BA (BioDeep_00000230355)

PANOMIX_OTCML-2023

代谢物信息卡片

(3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-3-acetyloxy-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

化学式: C32H50O4 (498.37089000000003)
中文名称: 3-O-乙酰基-β-乳香酸, 3 -乙酰基-β-乳香酸
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: C1[C@@]2(C)[C@@]([H])(CC[C@]3(C)[C@]2([H])CC=C2[C@@]3(C)CC[C@]3(C)[C@@]2([H])[C@@H](C)[C@H](C)CC3)[C@@](C)(C(=O)O)[C@H](OC(=O)C)C1
InChI: InChI=1S/C32H50O4/c1-19-11-14-28(4)17-18-30(6)22(26(28)20(19)2)9-10-23-29(5)15-13-25(36-21(3)33)32(8,27(34)35)24(29)12-16-31(23,30)7/h9,19-20,23-26H,10-18H2,1-8H3,(H,34,35)/t19-,20+,23-,24-,25-,26+,28-,29-,30-,31-,32-/m1/s1

描述信息

3-Acetyl-beta-boswellic acid is a natural product found in Boswellia sacra and Boswellia serrata with data available.
3-Acetyl-beta-boswellic acid is a boswellic acid isolated from Boswellia serrata gum resin[1].
3-Acetyl-beta-boswellic acid is a boswellic acid isolated from Boswellia serrata gum resin[1].

同义名列表

22 个代谢物同义名

(3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-3-acetyloxy-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; 3-ACETYL-.BETA.-BOSWELLIC ACID (CONSTITUENT OF BOSWELLIA SERRATA) [DSC]; Urs-12-en-23-oic acid, 3-(acetyloxy)-, (3.alpha.,4.beta.)-; 3-O-Acetyl-beta-boswellic acid, analytical standard; Urs-12-en-24-oic acid, 3.alpha.-hydroxy-, acetate; (3alpha)-3-(acetyloxy)urs-12-en-24-oic acid; (4R)-3alpha-acetoxy-urs-12-en-23-oic acid; 3-O-Acetyl- beta -boswellic acid; beta-Boswellic acid, 3-acetyl-; 3-ACETYL-.BETA.-BOSWELLIC ACID; 3-O-acetyl-beta-boswellic acid; .beta.-Boswellic acid acetate; ACETYL-.BETA.-BOSWELLIC ACID; 3-Acetyl-beta-boswellic acid; 3-ACETYL-BETA-BOSWELLICACID; acetyl-beta-boswellic acid; 3-Acetyl-ss-boswellic acid; Acetyl beta-boswellic acid; 3-Acetyl-β-boswellic acid; UNII-5M3483EOU5; 5M3483EOU5; A-beta-BA

数据库引用编号

6 个数据库交叉引用编号

PubChem: 11386458
LipidMAPS: LMPR0106180025
MeSH: 3-O-acetyl-beta-boswellic acid
ChemIDplus: 0005968707
CAS: 5968-70-7
medchemexpress: HY-N2075

分类词条

代谢反应

0 个相关的代谢反应过程信息。

Reactome(0)

BioCyc(0)

WikiPathways(0)

Plant Reactome(0)

INOH(0)

PlantCyc(0)

COVID-19 Disease Map(0)

PathBank(0)

PharmGKB(0)

3 个相关的物种来源信息

在这里通过桑基图来展示出与当前的这个代谢物在我们的BioDeep知识库中具有相关联信息的其他代谢物。在这里进行关联的信息来源主要有：

PubMed: 来源于PubMed文献库中的文献信息，我们通过自然语言数据挖掘得到的在同一篇文献中被同时提及的相关代谢物列表，这个列表按照代谢物同时出现的文献数量降序排序，取前10个代谢物作为相关研究中关联性很高的代谢物集合展示在桑基图中。
NCBI Taxonomy: 通过文献数据挖掘，得到的代谢物物种来源信息关联。这个关联信息同样按照出现的次数降序排序，取前10个代谢物作为高关联度的代谢物集合展示在桑吉图上。
Chemical Taxonomy: 在物质分类上处于同一个分类集合中的其他代谢物
Chemical Reaction: 在化学反应过程中，存在为当前代谢物相关联的生化反应过程中的反应底物或者反应产物的关联代谢物信息。

点击图上的相关代谢物的名称，可以跳转到相关代谢物的信息页面。

文献列表

Pan-Yang Zhang, Bin Yu, Wei-Jie Men, Ru-Yu Bai, Meng-Ying Chen, Zhao-Xin Wang, Tao Zeng, Kun Zhou. Acetyl-α-boswellic acid and Acetyl-β-boswellic acid protects against caerulein-induced pancreatitis via down-regulating MAPKs in mice. International immunopharmacology. 2020 Sep; 86(?):106682. doi: 10.1016/j.intimp.2020.106682. [PMID: 32563781]
Haroon Khan, Kannan R R Rengasamy, Aini Pervaiz, Seyed Mohammad Nabavi, Atanas G Atanasov, Mohammad A Kamal. Plant-derived mPGES-1 inhibitors or suppressors: A new emerging trend in the search for small molecules to combat inflammation. European journal of medicinal chemistry. 2018 Jun; 153(?):2-28. doi: 10.1016/j.ejmech.2017.12.059. [PMID: 29329790]
Ulf Siemoneit, Lars Tausch, Daniel Poeckel, Michael Paul, Hinnak Northoff, Andreas Koeberle, Johann Jauch, Oliver Werz. Defined Structure-Activity Relationships of Boswellic Acids Determine Modulation of Ca2+ Mobilization and Aggregation of Human Platelets by Boswellia serrata Extracts. Planta medica. 2017 Aug; 83(12-13):1020-1027. doi: 10.1055/s-0043-107884. [PMID: 28403501]
Sida Shen, Xingyu Xu, Zhulong Liu, Junhua Liu, Lihong Hu. Synthesis and structure-activity relationships of boswellic acid derivatives as potent VEGFR-2 inhibitors. Bioorganic & medicinal chemistry. 2015 May; 23(9):1982-93. doi: 10.1016/j.bmc.2015.03.022. [PMID: 25819335]
Moritz Verhoff, Stefanie Seitz, Michael Paul, Stefan M Noha, Johann Jauch, Daniela Schuster, Oliver Werz. Tetra- and pentacyclic triterpene acids from the ancient anti-inflammatory remedy frankincense as inhibitors of microsomal prostaglandin E(2) synthase-1. Journal of natural products. 2014 Jun; 77(6):1445-51. doi: 10.1021/np500198g. [PMID: 24844534]
Jan Hüsch, Kathleen Gerbeth, Gert Fricker, Constanze Setzer, Jürgen Zirkel, Herbert Rebmann, Manfred Schubert-Zsilavecz, Mona Abdel-Tawab. Effect of phospholipid-based formulations of Boswellia serrata extract on the solubility, permeability, and absorption of the individual boswellic acid constituents present. Journal of natural products. 2012 Oct; 75(10):1675-82. doi: 10.1021/np300009w. [PMID: 23013292]
Feng Wang, Zhan-Lin Li, Hong-Hua Cui, Hui-Ming Hua, Yong-Kui Jing, Sheng-Wang Liang. Two new triterpenoids from the resin of Boswellia carterii. Journal of Asian natural products research. 2011 Mar; 13(3):193-7. doi: 10.1080/10286020.2010.548808. [PMID: 21409679]
Olga N Pozharitskaya, Svetlana A Ivanova, Alexander N Shikov, Valery G Makarov. Separation and quantification of terpenoids of Boswellia serrata Roxb. extract by planar chromatography techniques (TLC and AMD). Journal of separation science. 2006 Sep; 29(14):2245-50. doi: 10.1002/jssc.200600078. [PMID: 17069256]
K Krohn, M S Rao, N V Raman, M Khalilullah. High-performance thin layer chromatographic analysis of anti-inflammatory triterpenoids from Boswellia serrata Roxb. Phytochemical analysis : PCA. 2001 Nov; 12(6):374-6. doi: 10.1002/pca.606. [PMID: 11793815]