beta-Cadinene (BioDeep_00000004354)

Secondary id: BioDeep_00000638492, BioDeep_00000862378

human metabolite PANOMIX_OTCML-2023 Endogenous

代谢物信息卡片

(1S,4AR,8as)-4,7-dimethyl-1-(propan-2-yl)-1,2,4a,5,8,8a-hexahydronaphthalene

化学式: C15H24 (204.18779039999998)
中文名称:
谱图信息: 最多检出来源 Viridiplantae(plant) 14.71%

分子结构信息

SMILES: C1=C(C[C@@H]2[C@@H](C1)C(=CC[C@H]2C(C)C)C)C
InChI: InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-6,10,13-15H,7-9H2,1-4H3/t13-,14-,15-/m0/s1

描述信息

beta-Cadinene is found in common oregano. beta-Cadinene is a constituent of Pinus caribaea. Mixed cadinene isomers, with b-cadinene usually predominating, occur in several essential oils, especially ylang-ylang, citronella and cade oil from Juniper species Cadinene isomers are used as a flavouring agent and/or flavour modifier.

同义名列表

10 个代谢物同义名

(1S,4AR,8as)-4,7-dimethyl-1-(propan-2-yl)-1,2,4a,5,8,8a-hexahydronaphthalene; Naphthalene, 1,2,4a,5,8,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-; (-)-beta-Cadinene; cadina-3,9-diene; β-Cadinene; (-)-Β-cadinene; (-)-b-Cadinene; beta-Cadinene; Β-cadinene; b-Cadinene

数据库引用编号

15 个数据库交叉引用编号

ChEBI: CHEBI:27723
KEGG: C09625
PubChem: 521380
PubChem: 10657
HMDB: HMDB0041576
Metlin: METLIN41198
ChEMBL: CHEMBL3120653
KNApSAcK: C00003106
chemspider: 10207
CAS: 523-47-7
PMhub: MS000016679
PubChem: 11815
LipidMAPS: LMPR0103330003
3DMET: B03140
NIKKAJI: J6.632J

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)

36 个相关的物种来源信息

260130 - Acca sellowiana: 10.3390/MOLECULES24112053
282714 - Achillea abrotanoides: 10.1016/0305-1978(92)90070-T
68299 - Ageratum conyzoides: 10.1002/FFJ.2730080504
105888 - Aloysia gratissima: 10.1016/S0031-9422(00)81286-8
165353 - Angelica sinensis:
35608 - Artemisia annua: 10.1016/0031-9422(94)85021-6
205369 - Artemisia judaica: 10.1080/10412905.1990.9697881
103745 - Chromolaena odorata: 10.3109/13880208709060911
586115 - Gaultheria mucronata: 10.1055/S-2007-969372
630325 - Helichrysum nudifolium: 10.1016/S0031-9422(00)81569-1
261798 - Helichrysum reflexum: 10.1016/S0031-9422(00)80783-9
9606 - Homo sapiens: -
3486 - Humulus lupulus: 10.1021/JF9911850
1291626 - Kuloa usambarensis: 10.1002/PCA.2800050503
123599 - Larix gmelinii:
193048 - Larix gmelinii var. gmelinii:
62751 - Larix sibirica: 10.1007/BF00567053
39329 - Lavandula angustifolia: 10.1016/0896-8446(94)90045-0
39338 - Melissa officinalis: 10.1055/S-2006-960032
4431 - Nelumbo lutea: 10.1080/10412905.1991.9697932
204141 - Ocimum americanum: 10.1016/S0944-7113(11)80031-0
39350 - Ocimum basilicum: 10.1021/JF000865W
260139 - Pimenta racemosa: 10.1080/10412905.1991.9697952
43335 - Populus alba: 10.1515/ZNC-1989-5-603
105903 - Rhododendron mucronulatum: 10.1007/BF01386197
268878 - Salvia dorystaechas: 10.1080/10412905.1992.9698087
1142017 - Santolina corsica: 10.1016/S0378-8741(97)01528-6
765941 - Santolina insularis: 10.1016/S0378-8741(97)01528-6
434240 - Sassafras randaiense: 10.1016/0031-9422(83)83070-2
49989 - Satureja thymbra: 10.3109/13880208409070665
1883 - Streptomyces: 10.1002/CBDV.200590062
128002 - Tanacetum vulgare: 10.1016/0031-9422(75)85347-7
49992 - Thymus vulgaris:
19953 - Valeriana officinalis: 10.1016/0031-9422(95)00492-P
4650 - Zingiber: 10.1016/J.PHYTOCHEM.2009.03.012
94328 - Zingiber officinale: 10.1016/J.PHYTOCHEM.2009.03.012

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

René F Ramos Alvarenga, Baojie Wan, Taichi Inui, Scott G Franzblau, Guido F Pauli, Birgit U Jaki. Airborne antituberculosis activity of Eucalyptus citriodora essential oil. Journal of natural products. 2014 Mar; 77(3):603-10. doi: 10.1021/np400872m. [PMID: 24641242]
S Fiocca, A Basilico, G Vago. [Automatic method for determination of serum antistreptolysin]. Quaderni Sclavo di diagnostica clinica e di laboratorio. 1975 Sep; 11(3):696-702. doi: NULL. [PMID: 3821]