(+)-Rotundifolone (BioDeep_00000007667)
Main id: BioDeep_00000019569
Secondary id: BioDeep_00001869000
human metabolite PANOMIX_OTCML-2023 natural product
代谢物信息卡片
化学式: C10H14O2 (166.0994)
中文名称:
谱图信息:
最多检出来源 () 0%
分子结构信息
SMILES: CC(=C1CCC2(C(C1=O)O2)C)C
InChI: InChI=1S/C10H14O2/c1-6(2)7-4-5-10(3)9(12-10)8(7)11/h9H,4-5H2,1-3H3/t9-,10+/m1/s1
描述信息
(+)-rotundifolone, also known as lippione, is a member of the class of compounds known as oxepanes. Oxepanes are compounds containing an oxepane ring, which is a seven-member saturated aliphatic heterocycle with one oxygen and six carbon atoms (+)-rotundifolone is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). (+)-rotundifolone can be found in spearmint, which makes (+)-rotundifolone a potential biomarker for the consumption of this food product.
同义名列表
数据库引用编号
14 个数据库交叉引用编号
- ChEBI: CHEBI:8900
- KEGG: C09896
- PubChem: 442497
- HMDB: HMDB0301852
- Metlin: METLIN67993
- KNApSAcK: C00003058
- foodb: FDB001520
- chemspider: 390924
- CAS: 3564-96-3
- PubChem: 12082
- 3DMET: B03359
- NIKKAJI: J16.191H
- KNApSAcK: 8900
- LOTUS: LTS0064424
分类词条
相关代谢途径
Reactome(0)
BioCyc(0)
PlantCyc(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)
65 个相关的物种来源信息
- 4037 - Apiaceae: LTS0064424
- 694344 - Betonica: LTS0064424
- 53172 - Betonica macrantha: 10.1055/S-2006-960936
- 53172 - Betonica macrantha: LTS0064424
- 260592 - Calamintha: LTS0064424
- 3481 - Cannabaceae: LTS0064424
- 3482 - Cannabis: LTS0064424
- 3483 - Cannabis sativa: 10.1021/NP50008A001
- 3483 - Cannabis sativa: LTS0064424
- 182371 - Clinopodium: LTS0064424
- 751789 - Clinopodium carolinianum: 10.1055/S-2006-960936
- 751789 - Clinopodium carolinianum: LTS0064424
- 2998185 - Clinopodium congestum: LTS0064424
- 887129 - Clinopodium grandiflorum: 10.1055/S-2006-960936
- 887129 - Clinopodium grandiflorum: LTS0064424
- 306383 - Clinopodium nepeta: LTS0064424
- 751810 - Clinopodium serpyllifolium: LTS0064424
- 306389 - Clinopodium serpyllifolium subsp. fruticosum: 10.1080/10412905.1992.9698120
- 306389 - Clinopodium serpyllifolium subsp. fruticosum: LTS0064424
- 2759 - Eukaryota: LTS0064424
- 48037 - Foeniculum: LTS0064424
- 48038 - Foeniculum vulgare: 10.1016/S0305-1978(96)00106-8
- 48038 - Foeniculum vulgare: 10.1080/10412905.1994.9698394
- 9606 - Homo sapiens: -
- 4136 - Lamiaceae: LTS0064424
- 3398 - Magnoliopsida: LTS0064424
- 21819 - Mentha: 10.1271/BBB1924.21.107
- 21819 - Mentha: LTS0064424
- 292239 - Mentha arvensis: 10.1007/BF00576108
- 292239 - Mentha arvensis: LTS0064424
- 300220 - Mentha asiatica: 10.1080/10412905.1997.9700747
- 300220 - Mentha asiatica: LTS0064424
- 38859 - Mentha longifolia:
- 38859 - Mentha longifolia: 10.1002/PTR.2650040606
- 38859 - Mentha longifolia: 10.1016/S0367-326X(01)00279-9
- 38859 - Mentha longifolia: 10.1080/10412905.2000.9712056
- 38859 - Mentha longifolia: 10.1080/10412905.2000.9712151
- 38859 - Mentha longifolia: LTS0064424
- 294739 - Mentha pulegium: 10.1016/J.JEP.2008.07.023
- 294739 - Mentha pulegium: LTS0064424
- 29719 - Mentha spicata:
- 29719 - Mentha spicata: 10.1002/PTR.2650040606
- 29719 - Mentha spicata: 10.1016/S0367-326X(01)00279-9
- 29719 - Mentha spicata: 10.1080/10412905.2000.9712056
- 29719 - Mentha spicata: 10.1080/10412905.2000.9712151
- 29719 - Mentha spicata: LTS0064424
- 38860 - Mentha suaveolens:
- 38860 - Mentha suaveolens: 10.1021/JA01600A059
- 38860 - Mentha suaveolens: 10.1080/10575639808044941
- 38860 - Mentha suaveolens: 10.1271/BBB1924.20.84
- 38860 - Mentha suaveolens: 10.1271/NOGEIKAGAKU1924.59.703
- 38860 - Mentha suaveolens: LTS0064424
- 54461 - Mentha × rotundifolia: 10.1021/JA01600A059
- 54461 - Mentha × rotundifolia: 10.1080/10575639808044941
- 54461 - Mentha × rotundifolia: 10.1271/BBB1924.20.84
- 54461 - Mentha × rotundifolia: 10.1271/NOGEIKAGAKU1924.59.703
- 424577 - Mentha × villosa: 10.1055/S-2001-17352
- 260605 - Minthostachys: LTS0064424
- 204155 - Platostoma: LTS0064424
- 204170 - Platostoma hispidum: 10.1055/S-2006-961496
- 204170 - Platostoma hispidum: LTS0064424
- 41227 - Plectranthus: LTS0064424
- 35493 - Streptophyta: LTS0064424
- 58023 - Tracheophyta: LTS0064424
- 33090 - Viridiplantae: LTS0064424
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
- Israel Gomes de Amorim Santos, Ricardo Scher, Marilise Brittes Rott, Leociley Rocha Menezes, Emmanoel Vilaça Costa, Sócrates Cabral de Holanda Cavalcanti, Arie Fitzgerald Blank, Jaciana dos Santos Aguiar, Teresinha Gonçalves da Silva, Silvio Santana Dolabella. Amebicidal activity of the essential oils of Lippia spp. (Verbenaceae) against Acanthamoeba polyphaga trophozoites.
Parasitology research.
2016 Feb; 115(2):535-40. doi:
10.1007/s00436-015-4769-4. [PMID: 26446087] - Ricardo G Amaral, Cecília S Fonseca, Tayane Kayne M Silva, Luciana N Andrade, Maria E França, José M Barbosa-Filho, Damião P de Sousa, Manoel O Moraes, Cláudia Ó Pessoa, Adriana A Carvalho, Sara Maria Thomazzi. Evaluation of the cytotoxic and antitumour effects of the essential oil from Mentha x villosa and its main compound, rotundifolone.
The Journal of pharmacy and pharmacology.
2015 Aug; 67(8):1100-6. doi:
10.1111/jphp.12409. [PMID: 25787872] - Nilmara Nunes Santos, Leociley Rocha Alencar Menezes, Jamyle Andrade Ferreira dos Santos, Cássio Santana Meira, Elisalva Teixeira Guimarhes, Milena Botelho Pereira Soares, Angelita Nepel, Andersson Barisone, Emmanoel Vilaça Costa. A new source of (R)-limonene and rotundifolone from leaves of Lippia pedunculosa (verbenaceae) and their trypanocidal properties.
Natural product communications.
2014 Jun; 9(6):737-9. doi:
. [PMID: 25115066] - Thiago José Matos-Rocha, Marília Gabriela dos Santos Cavalcanti, José Maria Barbosa-Filho, Ana Silvia Suassuna Carneiro Lúcio, Dyana Leal Veras, Ana Paula Sampaio Feitosa, José Pinto de Siqueira Júnior, Reinaldo Nóbrega de Almeida, Márcia Ortiz Mayo Marques, Luiz Carlos Alves, Fábio André Brayner. In vitro evaluation of schistosomicidal activity of essential oil of Mentha x villosa and some of its chemical constituents in adult worms of Schistosoma mansoni.
Planta medica.
2013 Sep; 79(14):1307-12. doi:
10.1055/s-0033-1350732. [PMID: 23945759] - D N Guedes, D F Silva, J M Barbosa-Filho, I A Medeiros. Calcium antagonism and the vasorelaxation of the rat aorta induced by rotundifolone.
Brazilian journal of medical and biological research = Revista brasileira de pesquisas medicas e biologicas.
2004 Dec; 37(12):1881-7. doi:
10.1590/s0100-879x2004001200014. [PMID: 15558195]
