10-Deacetylbaccatin (BioDeep_00000230418)
Main id: BioDeep_00000002134
PANOMIX_OTCML-2023
代谢物信息卡片
化学式: C29H36O10 (544.2308)
中文名称: 10-脱乙酰巴卡丁 III, 10-脱乙酰巴卡亭III, 10-脱乙酰巴卡亭 Ⅲ, 10-脱乙酰基巴卡丁 III (10-DAB)
谱图信息:
最多检出来源 () 0%
分子结构信息
SMILES: CC1=C([C@@H](O)C([C@@]2(C)[C@@]3([H])[C@@](CO4)(OC(C)=O)[C@@]4([H])C[C@@H]2O)=O)C(C)(C)[C@@]([C@H]3OC(C5=CC=CC=C5)=O)(O)C[C@@H]1O
InChI: InChI=1S/C29H36O10/c1-14-17(31)12-29(36)24(38-25(35)16-9-7-6-8-10-16)22-27(5,23(34)21(33)20(14)26(29,3)4)18(32)11-19-28(22,13-37-19)39-15(2)30/h6-10,17-19,21-22,24,31-33,36H,11-13H2,1-5H3/t17-,18-,19+,21+,22-,24-,27+,28-,29+/m0/s1
描述信息
10-deacetylbaccatin III is a tetracyclic diterpenoid and a secondary alpha-hydroxy ketone. It is functionally related to a baccatin III.
10-Deacetylbaccatin III is a natural product found in Corylus avellana, Taxus wallichiana, and other organisms with data available.
10-Deacetylbaccatin-III is an intermediate for taxol analog preparations. IC50 value: Target: Taxols have exhibit antitumor agents. Several of these taxols can be synthesized from 10- Deacetylbaccatin-III. 10-Deacetylbaccine III is the fifth intermediate of paclitaxel biosynthesis. The biosynthetic pathway consists of approximately 20 enzymatic steps but is not fully elucidated. 10-Deacetylbaccine III is an antineoplastic agent and an anti-cancer intermediate.
10-Deacetylbaccatin-III is an intermediate for taxol analog preparations. IC50 value: Target: Taxols have exhibit antitumor agents. Several of these taxols can be synthesized from 10- Deacetylbaccatin-III. 10-Deacetylbaccine III is the fifth intermediate of paclitaxel biosynthesis. The biosynthetic pathway consists of approximately 20 enzymatic steps but is not fully elucidated. 10-Deacetylbaccine III is an antineoplastic agent and an anti-cancer intermediate.
同义名列表
29 个代谢物同义名
7,11-Methano-5H-cyclodeca(3,4)benz(1,2-b)oxet-5-one, 12b-(acetyloxy)-12-(benzoyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-4,6,9,11-tetrahydroxy-4a,8,13,13-tetramethyl-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-; 7,11-METHANO-5H-CYCLODECA(3,4)BENZ(1,2-B)OXET-5-ONE, 12B-(ACETYLOXY)-12-(BENZOYLOXY)-1,2A,3,4,4A,6,9,10,11,12,12A,12B-DODECAHYDRO-4,6,9,11-TETRAHYDROXY-4A,8,13,13-TETRAMETHYL-, (2AR,4S,4AS,6R,9S,11S,12S,12AR,12BS); (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-acetoxy-4,6,9,11-tetrahydroxy-4a,8,13,13-tetramethyl-5-oxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxet-12-yl benzoate; (2ar,4s,4as,6r,9s,11s,12s,12ar,12bs)-12b-acetoxy-4,6,9,11-tetrahydroxy-4a,8,13,13-tetramethyl-5-oxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1h-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxet-12-yl ben; (2AR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-acetoxy-4,6,9,11-tetrahydroxy-4a,8,13,13-tetramethyl-5-oxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methan; 5beta,20-epoxy-1,7beta,10beta,13alpha-tetrahydroxy-9-oxotax-11-ene-2alpha,4alpha-diyl 4-acetate 2-benzoate; 10-Deacetylbaccatin III; 10-DAB III; 10-Deacetyl Baccatin III;10-Deacetylbaccatin III; 10-Deacetylbaccatin III, Antibiotic for Culture Media Use Only; 10-Deacetylbaccatin III from Taxus baccata, >=95\\% (HPLC); 10.BETA.-DEACETYLBACCATIN III; 10-DAB (10-Deacetylbaccatin); YWLXLRUDGLRYDR-ZHPRIASZSA-N; Baccatin III, 10-Deacetyl-; 10-O-Deacetylbaccatin III; 10-deacetyl-baccatine III; 10-Deacetyl baccatin III; 10-deacetylbaccatine III; 10-DEACETYL-BACCATIN III; 10-DEACETYLBACCATIN-III; 10-deactyl baccatin III; 10-Deacetylbaccatin III; 10-DeacetylbaccatinIII; 10-Deacetylbaccatin; UNII-4K6EWW2Z45; 10-DAB III; 4K6EWW2Z45; 10-DB III; zoate; 10-Deacetylbaccatin III
数据库引用编号
13 个数据库交叉引用编号
- ChEBI: CHEBI:18193
- PubChem: 154272
- ChEMBL: CHEMBL393912
- Wikipedia: 10-Deacetylbaccatin
- MeSH: 10-deacetylbaccatine III
- ChemIDplus: 0032981865
- chemspider: 111285
- CAS: 32981-86-5
- medchemexpress: HY-16565
- KEGG: C11700
- PubChem: 13865
- KNApSAcK: 18193
- HERB: HBIN000086
分类词条
相关代谢途径
Reactome(0)
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)
14 个相关的物种来源信息
- 13451 - Corylus avellana: 10.1021/NP0704046
- 5503 - Curvularia lunata: 10.1021/NP900765Y
- 33090 - Plants: -
- 25628 - Taxus: 10.1002/(SICI)1099-1565(199711/12)8:6<286::AID-PCA374>3.0.CO;2-G
- 25629 - Taxus baccata:
- 46220 - Taxus brevifolia:
- 88032 - Taxus canadensis:
- 29808 - Taxus chinensis: -
- 99806 - Taxus cuspidata:
- 156270 - Taxus floridana:
- 450883 - Taxus sumatrana:
- 147273 - Taxus wallichiana:
- 147275 - Taxus wallichiana var. wallichiana:
- 33090 - 红豆杉: -
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
- Xiaodan Wu, Ying Wang, Bingyang Qin, Guansong Shao, Zihan Wang, Tao Wang, Yujie Fu. A nanocellulose molecularly imprinted membrane: Preparation, characterization and application in targeted separation of taxane 10-deacetylbaccatin III.
International journal of biological macromolecules.
2023 Sep; ?(?):126794. doi:
10.1016/j.ijbiomac.2023.126794
. [PMID: 37699463] - Md Nurullah, Zakiya Usmani, Sheeraz Ahmad, Bibhu Prasad Panda, Saima Amin, Showkat Rasool Mir. Purification and characterization of Taxol and 10-Deacetyl baccatin III from the bark, needles, and endophytes of Taxus baccata by preparative high-performance liquid chromatography, ultra-high-performance liquid chromatography-mass spectrometry, and nuclear magnetic resonance.
Journal of separation science.
2023 Jan; ?(?):e2200841. doi:
10.1002/jssc.202200841
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Scientific reports.
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. [PMID: 33273486] - Balendra Sah, Kamalraj Subban, Chelliah Jayabaskaran. Biochemical insights into the recombinant 10-deacetylbaccatin III-10-β-O-acetyltransferase enzyme from the Taxol-producing endophytic fungus Lasiodiplodia theobromae.
FEMS microbiology letters.
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Pesticide biochemistry and physiology.
2018 Nov; 152(?):114-121. doi:
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. [PMID: 30497701] - Bing-Juan Li, Hao Wang, Ting Gong, Jing-Jing Chen, Tian-Jiao Chen, Jin-Ling Yang, Ping Zhu. Improving 10-deacetylbaccatin III-10-β-O-acetyltransferase catalytic fitness for Taxol production.
Nature communications.
2017 05; 8(?):15544. doi:
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. [PMID: 28516951] - Xueli Zhang, Jiajia Lv, Liling Wang, Hua Shao. Comparison of Pharmacokinetics and Biodistribution of 10-Deacetylbaccatin III after Oral Administration as Pure Compound or in Taxus chinensis Extract: A Pilot Study.
Planta medica.
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Talanta.
2015 Oct; 143(?):42-49. doi:
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. [PMID: 26078126] - Yang-qin Tang, Hai-chi Li, Wen-jie Huang, Yan Xiong, Fa-huan Ge. [Extraction of 10-Deacetyl Baccatin by Supercritical CO2 from Taxus yunnanensis Branches and Leaves].
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Journal of separation science.
2009 May; 32(9):1284-93. doi:
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Journal of chromatography. A.
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2007 Dec; 70(12):1846-9. doi:
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. [PMID: 18001087] - Katerina Georgopoulou, Despina Smirlis, Sylvia Bisti, Evangelia Xingi, Leandros Skaltsounis, Ketty Soteriadou. In vitro activity of 10-deacetylbaccatin III against Leishmania donovani promastigotes and intracellular amastigotes.
Planta medica.
2007 Aug; 73(10):1081-8. doi:
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. [PMID: 17691059] - Binhui Guo, Guoyin Kai, Yifu Gong, Hongbin Jin, Yechun Wang, Zhiqi Miao, Xiaofen Sun, Kexuan Tang. Molecular cloning and heterologous expression of a 10-deacetylbaccatin III-10-O-acetyl transferase cDNA from Taxus x media.
Molecular biology reports.
2007 Jun; 34(2):89-95. doi:
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