AIDS-070322 (BioDeep_00000861047)

PANOMIX_OTCML-2023

代谢物信息卡片

(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-acetyloxy-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

化学式: C32H50O4 (498.37089000000003)
中文名称: 齐墩果酸 3-乙酸酯
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: CC(=O)OC1CCC2(C(C1(C)C)CCC3(C2CC=C4C3(CCC5(C4CC(CC5)(C)C)C(=O)O)C)C)C
InChI: InChI=1S/C32H50O4/c1-20(33)36-25-12-13-29(6)23(28(25,4)5)11-14-31(8)24(29)10-9-21-22-19-27(2,3)15-17-32(22,26(34)35)18-16-30(21,31)7/h9,22-25H,10-19H2,1-8H3,(H,34,35)/t22-,23-,24+,25-,29-,30+,31+,32-/m0/s1

描述信息

同义名列表

13 个代谢物同义名

(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-acetyloxy-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; (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-acetoxy-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; Olean-12-en-28-oic acid, 3-(acetyloxy)-, (3beta)-; Oleanolic acid 3-acetate; 3-O-Acetyloleanolic acid; Oleanolic acid deriv.; Acetyl oleanolic acid; 118122-15-9; AIDS-070322; 137867-41-5; 87038-54-8; AIDS070322; 4339-72-4

数据库引用编号

4 个数据库交叉引用编号

KEGG: C75167
PubChem: 151202
ChEMBL: CHEMBL486822
CAS: 4339-72-4

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)

63 个相关的物种来源信息

155132 - Akebia trifoliata: 10.1016/S0031-9422(00)86855-7
316698 - Alchornea laxiflora: 10.1007/S11746-011-1770-7
1209471 - Anaphalis sinica: 10.1002/JCCS.200400063
52823 - Asclepias curassavica: 10.1021/NP0501740
284673 - Betula alnoides: 10.1055/S-2006-958147
253224 - Betula davurica: 10.1248/CPB.46.166
216992 - Betula ermanii: 10.1007/BF00597825
211500 - Betula maximowicziana:
3505 - Betula pendula: 10.1248/CPB.44.1033
78630 - Betula platyphylla: 10.1248/CPB.44.1033
41496 - Calendula officinalis: 10.1002/CHIN.200539165
335184 - Cistus monspeliensis: 10.1248/BPB.29.1775
680190 - Clerodendrum indicum: 10.3184/030823403103174452
182333 - Cleyera japonica: 10.1007/BF02973871
323039 - Croton ciliatoglandulifer: 10.1021/NP0504311
983402 - Diospyros argentea: 10.1016/S0031-9422(00)80490-2
1932074 - Diospyros blancoi: 10.1016/S0031-9422(00)80490-2
268838 - Diospyros discolor: 10.1016/S0031-9422(00)80490-2
1009467 - Diospyros eriantha:
55363 - Diospyros lotus:
413754 - Diospyros maingayi: 10.1016/S0031-9422(00)80490-2
413758 - Diospyros maritima: 10.3390/MOLECULES14125281
268846 - Diospyros sumatrana: 10.1016/S0031-9422(00)80490-2
589132 - Diospyros wallichii: 10.1016/S0031-9422(00)80490-2
34316 - Eucalyptus camaldulensis: 10.1021/NP020127X
13523 - Euptelea polyandra:
252459 - Eysenhardtia platycarpa: 10.1021/NP060166Z
268092 - Gelasia cretica: 10.1021/NP0103665
93772 - Guazuma ulmifolia: 10.1007/S10600-010-9722-2
630302 - Helichrysum forskahlii: 10.1016/J.PHYTOCHEM.2008.03.025
53211 - Ilex rotunda: 10.1016/0031-9422(95)00499-8
126435 - Lantana camara: 10.1016/S0031-9422(00)00131-X
46072 - Ligustrum japonicum: 10.4268/CJCMM20100712
458695 - Ligustrum lucidum: 10.4268/CJCMM20100712
542673 - Lippia origanoides:
320357 - Lippia sidoides:
1043500 - Mussaenda macrophylla: 10.1021/NP9901579
1134158 - Myrcia guianensis: 10.1002/CBDV.201400065
1580004 - Phytolacca bogotensis: 10.1016/S0031-9422(00)97416-8
317406 - Pieris japonica: 10.1248/CPB.29.261
379279 - Prunus africana: 10.1002/JHRC.1240090210
268888 - Salvia amplexicaulis:
268920 - Salvia palaestina: 10.1016/S0031-9422(97)00251-3
1200507 - Salvia recognita: 10.1016/S0031-9422(97)01056-X
39367 - Salvia rosmarinus: 10.1055/S-2006-959670
268885 - Salvia yangii: 10.1016/S0367-326X(01)00290-8
222981 - Serjania triquetra: 10.1016/S0040-4020(01)89663-0
403023 - Sideritis kuegleriana: 10.1016/J.PHYTOCHEM.2009.05.011
41788 - Stauntonia hexaphylla: 10.1021/NP50063A024
85835 - Strychnos potatorum: 10.1055/S-0028-1097613
178137 - Syncarpia glomulifera: 10.1055/S-2000-11129
107827 - Ternstroemia gymnanthera: 10.1007/BF02973871
931930 - Ternstroemia japonica: 10.1007/BF02973871
205465 - Tripterygium hypoglaucum: 10.1016/S0031-9422(00)00007-8
458696 - Tripterygium wilfordii: 10.1016/S0031-9422(00)00007-8
361442 - Vitex negundo: 10.1016/0031-9422(83)83058-1
226208 - 丹参: -
33090 - 女贞子: -
33090 - 白头翁: -
33090 - 皂角刺: -
33090 - 茜草: -
33090 - 草苁蓉: -
458696 - 雷公藤: -

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

Brice Maxime Nkouayeb Nangmou, Hermine Laure Maza Djomkam, Georges Bellier Tabekoueng, Willifred Dongmo Tékapi Tsopgni, Gabin Thierry Mbahbou Bitchagno, Michel Arnaud Mbock, Raceline Gounoue Kamkumo, Marcel Frese, Bruno Ndjakou Lenta, Silvère Augustin Ngouela, Nobert Sewald, Anatole Guy Blaise Azebaze. Bioguided Fractionation and Isolation of an Antiplasmodial Saponin from the Roots of Nauclea xanthoxylon (A.Chev.) Aubrév. (Rubiaceae). Chemistry & biodiversity. 2023 Mar; ?(?):e202200271. doi: 10.1002/cbdv.202200271. [PMID: 36890112]
Genki Kiyama, Ken-Ichi Nakashima, Kazumasa Shimada, Naoko Murono, Wataru Kakihana, Hideki Imai, Makoto Inoue, Takao Hirai. Transmembrane G protein-coupled receptor 5 signaling stimulates fibroblast growth factor 21 expression concomitant with up-regulation of the transcription factor nuclear receptor Nr4a1. Biomedicine & pharmacotherapy = Biomedecine & pharmacotherapie. 2021 Oct; 142(?):112078. doi: 10.1016/j.biopha.2021.112078. [PMID: 34449315]
Hyo-Moon Cho, Thi-Kim-Quy Ha, Thi-Phuong Doan, Basanta Dhodary, Jin-Pyo An, Ba-Wool Lee, Jun-Li Yang, Won-Keun Oh. Neuroprotective Effects of Triterpenoids from Camellia japonica against Amyloid β-Induced Neuronal Damage. Journal of natural products. 2020 07; 83(7):2076-2086. doi: 10.1021/acs.jnatprod.9b00964. [PMID: 32569471]
Qiong Ou-Yang, Chun-Xiao Xuan, Xue Wang, Han-Qiong Luo, Jin-E Liu, Lan-Lan Wang, Ting-Ting Li, Yu-Peng Chen, Jun Liu. 3-Acetyl-oleanolic acid ameliorates non-alcoholic fatty liver disease in high fat diet-treated rats by activating AMPK-related pathways. Acta pharmacologica Sinica. 2018 Aug; 39(8):1284-1293. doi: 10.1038/aps.2017.142. [PMID: 29345253]
Dongyin Chen, Xin Huang, Hongwen Zhou, Hanqiong Luo, Pengfei Wang, Yongzhi Chang, Xinyi He, Suiying Ni, Qingqing Shen, Guoshen Cao, Hongbin Sun, Xiaoan Wen, Jun Liu. Discovery of pentacyclic triterpene 3β-ester derivatives as a new class of cholesterol ester transfer protein inhibitors. European journal of medicinal chemistry. 2017 Oct; 139(?):201-213. doi: 10.1016/j.ejmech.2017.08.012. [PMID: 28802120]
Eunyoung Kim, Keumhan Noh, Sang Joon Lee, Beomsoo Shin, Joo Tae Hwang, Seung Woong Lee, Mun-Chul Rho, Wonku Kang. Simultaneous determination of 3-O-acetyloleanolic acid and oleanolic acid in rat plasma using liquid chromatography coupled to tandem mass spectrometry. Journal of pharmaceutical and biomedical analysis. 2016 Jan; 118(?):96-100. doi: 10.1016/j.jpba.2015.10.030. [PMID: 26520257]
Juan José Ramírez-Espinosa, Maria Yolanda Rios, Paolo Paoli, Virginia Flores-Morales, Guido Camici, Vianey de la Rosa-Lugo, Sergio Hidalgo-Figueroa, Gabriel Navarrete-Vázquez, Samuel Estrada-Soto. Synthesis of oleanolic acid derivatives: In vitro, in vivo and in silico studies for PTP-1B inhibition. European journal of medicinal chemistry. 2014 Nov; 87(?):316-27. doi: 10.1016/j.ejmech.2014.09.036. [PMID: 25264584]
Liwu Chen, Jian Du, Qiwen Dai, Hongcheng Zhang, Wensheng Pang, Juan Hu. Prediction of anti-tumor chemical probes of a traditional Chinese medicine formula by HPLC fingerprinting combined with molecular docking. European journal of medicinal chemistry. 2014 Aug; 83(?):294-306. doi: 10.1016/j.ejmech.2014.06.037. [PMID: 24974349]
Andres Parra, Samuel Martin-Fonseca, Francisco Rivas, Fernando J Reyes-Zurita, Marta Medina-O'Donnell, Antonio Martinez, Andres Garcia-Granados, Jose A Lupiañez, Fernando Albericio. Semi-synthesis of acylated triterpenes from olive-oil industry wastes for the development of anticancer and anti-HIV agents. European journal of medicinal chemistry. 2014 Mar; 74(?):278-301. doi: 10.1016/j.ejmech.2013.12.049. [PMID: 24480359]
Jin Kyeong Choi, Hyun-Mee Oh, Soyoung Lee, Jin-Woo Park, Dongwoo Khang, Seung Woong Lee, Woo Song Lee, Mun-Chual Rho, Sang-Hyun Kim. Oleanolic acid acetate inhibits atopic dermatitis and allergic contact dermatitis in a murine model. Toxicology and applied pharmacology. 2013 May; 269(1):72-80. doi: 10.1016/j.taap.2013.03.001. [PMID: 23499868]
Imran Khan, Payare L Sangwan, Jagdish K Dhar, Surrinder Koul. Simultaneous quantification of five marker compounds of Betula utilis stem bark using a validated high-performance thin-layer chromatography method. Journal of separation science. 2012 Feb; 35(3):392-9. doi: 10.1002/jssc.201100647. [PMID: 22213693]
Chen-Chen Zhu, Li Gao, Zhong-Xiang Zhao, Chao-Zhan Lin. Triterpenes from Callicarpa integerrima Champ. Yao xue xue bao = Acta pharmaceutica Sinica. 2012 Jan; 47(1):77-83. doi: ". [PMID: 22493809]
Jing Feng, Zhi-Yi Feng, Jun-Ming Wang, Ying Cui. [Study on the triterpenoids from the fruits of Ligustrum lucidum]. Zhong yao cai = Zhongyaocai = Journal of Chinese medicinal materials. 2011 Oct; 34(10):1540-4. doi: . [PMID: 22372142]
Xiuhai Gan, Xin Zhou, Huaguo Chen, Xiaojian Gong, Chao Zhao. [Chemical constituents of Periploca forrestii]. Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica. 2009 Dec; 34(24):3225-8. doi: . [PMID: 20353006]
José M Narvaez-Mastache, María Luisa Garduño-Ramírez, Laura Alvarez, Guillermo Delgado. Antihyperglycemic activity and chemical constituents of Eysenhardtia platycarpa. Journal of natural products. 2006 Dec; 69(12):1687-91. doi: 10.1021/np060166z. [PMID: 17190443]
Norio Nakamura. [Inhibitory effects of some traditional medicines on proliferation of HIV-1 and its protease]. Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan. 2004 Aug; 124(8):519-29. doi: 10.1248/yakushi.124.519. [PMID: 15297721]
Sabira Begum, Ishrat Sultana, Bina S Siddiqui, Farhana Shaheen, Anwar H Gilani. Structure and spasmolytic activity of eucalyptanoic acid from Eucalyptus camaldulensis var. obtusa and synthesis of its active derivative from oleanolic acid. Journal of natural products. 2002 Dec; 65(12):1939-41. doi: 10.1021/np020127x. [PMID: 12502346]
N C Kim, A E Desjardins, C D Wu, A D Kinghorn. Activity of triterpenoid glycosides from the root bark of Mussaenda macrophylla against two oral pathogens. Journal of natural products. 1999 Oct; 62(10):1379-84. doi: 10.1021/np9901579. [PMID: 10543897]
C Ma, N Nakamura, H Miyashiro, M Hattori, K Shimotohno. Inhibitory effects of constituents from Cynomorium songaricum and related triterpene derivatives on HIV-1 protease. Chemical & pharmaceutical bulletin. 1999 Feb; 47(2):141-5. doi: 10.1248/cpb.47.141. [PMID: 10071849]
X F Wang. [Chemical constituents of the stems and roots of Gardenia jasminoides]. Zhong yao tong bao (Beijing, China : 1981). 1986 Oct; 11(10):44-5. doi: ". [PMID: 2953494]