Umbellulone (BioDeep_00000000711)
PANOMIX_OTCML-2023 natural product
代谢物信息卡片
化学式: C10H14O (150.1045)
中文名称:
谱图信息:
最多检出来源 Chinese Herbal Medicine(otcml) 85.71%
分子结构信息
SMILES: CC1=CC(=O)C2(C(C)C)CC12
InChI: InChI=1S/C10H14O/c1-6(2)10-5-8(10)7(3)4-9(10)11/h4,6,8H,5H2,1-3H3/t8-,10+/m0/s1
描述信息
Umbellulone is a ketone.
(-)-Umbellulone is a natural product found in Tanacetum vulgare, Pimenta racemosa, and Umbellularia californica with data available.
同义名列表
12 个代谢物同义名
[1R,5S,(-)]-4-Methyl-1-isopropylbicyclo[3.1.0]hexa-3-ene-2-one; (1R,5S)-4-methyl-1-(propan-2-yl)bicyclo[3.1.0]hex-3-en-2-one; (1R,5S)-4-Methyl-1-propan-2-ylbicyclo[3.1.0]hex-3-en-2-one; (1R,5S)-4-methyl-1-propan-2-ylbicyclo(3.1.0)hex-3-en-2-one; (1R,5S)-1-isopropyl-4-methyl-bicyclo[3.1.0]hex-3-en-2-one; (-)-Umbellulone; (R)-Umbellulone; Umbellulone; AC1L9CYT; Umbellol; Umbellulon; Umbellulone
数据库引用编号
17 个数据库交叉引用编号
- ChEBI: CHEBI:9860
- KEGG: C09911
- PubChem: 442504
- PubChem: 91195
- Metlin: METLIN68003
- Wikipedia: Umbellulone
- MeSH: (1R,5S)-4-methyl-1-propan-2-ylbicyclo(3.1.0)hex-3-en-2-one
- ChemIDplus: 0000546781
- CAS: 546-78-1
- medchemexpress: HY-135013
- PMhub: MS000021128
- PubChem: 12097
- KNApSAcK: C00003066
- 3DMET: B03373
- NIKKAJI: J16.951J
- KNApSAcK: 9860
- LOTUS: LTS0242520
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)
40 个相关的物种来源信息
- 4037 - Apiaceae: LTS0242520
- 4210 - Asteraceae: LTS0242520
- 13422 - Chrysanthemum: LTS0242520
- 146995 - Chrysanthemum indicum: 10.1002/CBDV.201000034
- 146995 - Chrysanthemum indicum: LTS0242520
- 3367 - Cupressaceae: LTS0242520
- 13468 - Cupressus: LTS0242520
- 4038 - Daucus: LTS0242520
- 4039 - Daucus carota: 10.1002/CBDV.201300390
- 4039 - Daucus carota: LTS0242520
- 2759 - Eukaryota: LTS0242520
- 4136 - Lamiaceae: LTS0242520
- 3433 - Lauraceae: LTS0242520
- 3398 - Magnoliopsida: LTS0242520
- 21819 - Mentha: LTS0242520
- 38859 - Mentha longifolia: 10.1055/S-2006-960356
- 38859 - Mentha longifolia: LTS0242520
- 29719 - Mentha spicata: 10.1055/S-2006-960356
- 29719 - Mentha spicata: LTS0242520
- 3931 - Myrtaceae: LTS0242520
- 39173 - Ocimum: LTS0242520
- 204144 - Ocimum gratissimum: LTS0242520
- 204145 - Ocimum gratissimum var. gratissimum: 10.1055/S-2007-969121
- 204145 - Ocimum gratissimum var. gratissimum: LTS0242520
- 260138 - Pimenta: LTS0242520
- 260139 - Pimenta racemosa: 10.1080/10412905.1991.9697952
- 260139 - Pimenta racemosa: LTS0242520
- 58019 - Pinopsida: LTS0242520
- 35493 - Streptophyta: LTS0242520
- 99105 - Tanacetum: LTS0242520
- 128002 - Tanacetum vulgare: 10.1055/S-2007-969294
- 128002 - Tanacetum vulgare: LTS0242520
- 58023 - Tracheophyta: LTS0242520
- 3437 - Umbellularia: LTS0242520
- 3438 - Umbellularia californica:
- 3438 - Umbellularia californica: 10.1016/0031-9422(74)85146-0
- 3438 - Umbellularia californica: 10.1016/0305-1978(95)00094-1
- 3438 - Umbellularia californica: 10.1016/S0031-9422(00)90381-9
- 3438 - Umbellularia californica: LTS0242520
- 33090 - Viridiplantae: LTS0242520
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
- Airin Ghaderi, Ali Sonboli. Chemical composition and antimicrobial activity of the essential oil of Tanacetum walteri (Anthemideae-Asteraceae) from Iran.
Natural product research.
2019 Jun; 33(12):1787-1790. doi:
10.1080/14786419.2018.1434640. [PMID: 29405745] - Rebecca M Edelmayer, Larry N Le, Jin Yan, Xiaomei Wei, Romina Nassini, Serena Materazzi, Delia Preti, Giovanni Appendino, Pierangelo Geppetti, David W Dodick, Todd W Vanderah, Frank Porreca, Gregory Dussor. Activation of TRPA1 on dural afferents: a potential mechanism of headache pain.
Pain.
2012 Sep; 153(9):1949-1958. doi:
10.1016/j.pain.2012.06.012. [PMID: 22809691] - Romina Nassini, Serena Materazzi, Joris Vriens, Jean Prenen, Silvia Benemei, Gaetano De Siena, Giancarlo la Marca, Eunice Andrè, Delia Preti, Cristina Avonto, Laura Sadofsky, Vincenzo Di Marzo, Luciano De Petrocellis, Greg Dussor, Frank Porreca, Orazio Taglialatela-Scafati, Giovanni Appendino, Bernd Nilius, Pierangelo Geppetti. The 'headache tree' via umbellulone and TRPA1 activates the trigeminovascular system.
Brain : a journal of neurology.
2012 Feb; 135(Pt 2):376-90. doi:
10.1093/brain/awr272. [PMID: 22036959] - Peter J Goadsby. Herbalism helps headache.
Brain : a journal of neurology.
2012 Feb; 135(Pt 2):318-9. doi:
10.1093/brain/aws008. [PMID: 22345087] - Christian Starkenmann, Isabelle Cayeux, Robert Brauchli, Fabienne Mayenzet. Hemisynthesis of dihydroumbellulols from umbellulone: new cooling compounds.
Journal of agricultural and food chemistry.
2011 Jan; 59(2):677-83. doi:
10.1021/jf103989j. [PMID: 21190364]
