Medicagol (BioDeep_00000017349)

human metabolite PANOMIX_OTCML-2023

代谢物信息卡片

16-hydroxy-5,7,11,19-tetraoxapentacyclo[10.8.0.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]icosa-1(12),2,4(8),9,13(18),14,16-heptaen-20-one

化学式: C16H8O6 (296.0320868)
中文名称: 苜蓿内酯, 苜蓿内酯
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 3.57%

分子结构信息

SMILES: c1(ccc2c(c1)oc(=O)c1c2oc2c1cc1c(c2)OCO1)O
InChI: InChI=1S/C16H8O6/c17-7-1-2-8-10(3-7)22-16(18)14-9-4-12-13(20-6-19-12)5-11(9)21-15(8)14/h1-5,17H,6H2

描述信息

Medicagol is a member of coumestans.
Medicagol is a natural product found in Cicer chorassanicum, Sophora moorcroftiana, and other organisms with data available.
See also: Trifolium pratense flower (part of).
Medicagol is found in alfalfa. Medicagol is found in alfalfa (Medicago sativa) having viral leaf spot infections. Also from Cicer arietinum (chick pea) and Trifolium pratense (red clover).
Found in alfalfa (Medicago sativa) having viral leaf spot infectionsand is also from Cicer arietinum (chick pea) and Trifolium pratense (red clover).

同义名列表

15 个代谢物同义名

16-hydroxy-5,7,11,19-tetraoxapentacyclo[10.8.0.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]icosa-1(12),2,4(8),9,13(18),14,16-heptaen-20-one; 16-hydroxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaen-20-one; 3-Hydroxy-6H-[1,3]dioxolo[5,6]benzofuro[3,2-c][1]-benzopyran-6-one, 9CI; 3-HYDROXY-6H-(1,3)DIOXOLO(4,5:5,6)BENZOFURO(3,2-C)(1)BENZOPYRAN-6-ONE; 6H-(1,3)Dioxolo(5,6)benzofuro(3.2-c)(1)benzopyran-6-one, 3-hydroxy-; 3-Hydroxy-6H-[1,3]dioxolo[4,5:5,6]benzofuro[3,2-c]chromen-6-one; 7-HYDROXY-5,6-METHYLENEDIOXYBENZOFURANO(3,2:3,4)COUMARIN; 7-Hydroxy-5,6-methylenedioxybenzofurano[3,2:3,4]coumarin; 7-hydroxy-11,12-(methylenedioxy)coumestan; 7-Hydroxy-11,12-methylenedioxycoumestan; 3-Hydroxy-8,9-methylenedioxycoumestan; UNII-5OBT39CCC9; MEDICAGOL [MI]; 5OBT39CCC9; Medicagol

数据库引用编号

12 个数据库交叉引用编号

ChEBI: CHEBI:166608
PubChem: 5319322
HMDB: HMDB0033831
ChEMBL: CHEMBL99941
LipidMAPS: LMPK12090025
ChemIDplus: 0001983728
KNApSAcK: C00009760
foodb: FDB011998
chemspider: 4477641
CAS: 1983-72-8
PMhub: MS000196405
RefMet: Medicagol

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)

59 个相关的物种来源信息

256638 Euchresta formosana:
3897 Styphnolobium japonicum:
384038 Cyclopia intermedia: 10.1021/JF980258X
3827 Cicer arietinum:
37501 Maackia amurensis: 10.1002/JPS.2600640504
90899 Cicer bijugum:
200948 Cicer canariense:
47088 Cicer pinnatifidum:
242878 Cicer anatolicum:
92719 Cicer judaicum:
92718 Cicer yamashitae:
107682 Cicer chorassanicum:
200949 Cicer macracanthum:
92720 Cicer cuneatum:
90897 Cicer echinospermum:
242871 Cicer oxyodon:
242870 Cicer nuristanicum: 10.1016/S0031-9422(97)00798-X
2816372 Platyosprion platycarpum: 10.1021/NP50068A037
247908 Cladrastis platycarpa: 10.1021/NP50068A037
256639 Euchresta japonica: 10.1016/0031-9422(80)85077-1
47101 Galega officinalis: 10.1248/CPB.35.1610
171567 Sophora tetraptera:
70607 Sophora microphylla: 10.1071/C96109
1323965 Sophora moorcroftiana: 10.1248/CPB.36.2220
171561 Sophora chrysophylla: 10.1248/CPB.38.1712
520843 Flemingia macrophylla: 10.1055/S-2005-871297
455371 Spatholobus suberectus: 10.1016/J.CHROMA.2011.06.091
337842 Cyclopia sessiliflora: 10.1533/9781845698188.5.242
3879 Medicago sativa: 10.1021/JO01018A056
256638 Euchresta formosana:
3897 Styphnolobium japonicum:
384038 Cyclopia intermedia: 10.1021/JF980258X
3827 Cicer arietinum:
37501 Maackia amurensis: 10.1002/JPS.2600640504
90899 Cicer bijugum:
200948 Cicer canariense:
47088 Cicer pinnatifidum:
242878 Cicer anatolicum:
92719 Cicer judaicum:
92718 Cicer yamashitae:
107682 Cicer chorassanicum:
200949 Cicer macracanthum:
92720 Cicer cuneatum:
90897 Cicer echinospermum:
242871 Cicer oxyodon:
242870 Cicer nuristanicum: 10.1016/S0031-9422(97)00798-X
2816372 Platyosprion platycarpum: 10.1021/NP50068A037
247908 Cladrastis platycarpa: 10.1021/NP50068A037
256639 Euchresta japonica: 10.1016/0031-9422(80)85077-1
47101 Galega officinalis: 10.1248/CPB.35.1610
171567 Sophora tetraptera:
70607 Sophora microphylla: 10.1071/C96109
1323965 Sophora moorcroftiana: 10.1248/CPB.36.2220
171561 Sophora chrysophylla: 10.1248/CPB.38.1712
520843 Flemingia macrophylla: 10.1055/S-2005-871297
455371 Spatholobus suberectus: 10.1016/J.CHROMA.2011.06.091
337842 Cyclopia sessiliflora: 10.1533/9781845698188.5.242
3879 Medicago sativa: 10.1021/JO01018A056
9606 Homo sapiens: -

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

Tamsyn S A Thring, Pauline Hili, Declan P Naughton. Anti-collagenase, anti-elastase and anti-oxidant activities of extracts from 21 plants. BMC complementary and alternative medicine. 2009 Aug; 9(?):27. doi: 10.1186/1472-6882-9-27. [PMID: 19653897]
Yu-Ping Tang, Jie Hu, Jing-Hua Wang, Feng-Chang Lou. A new coumaronochromone from Sophora japonica. Journal of Asian natural products research. 2002 Mar; 4(1):1-5. doi: 10.1080/10286020290019622. [PMID: 11991186]
da Silva AJM, P A Melo, N M Silva, F V Brito, C D Buarque, D V de Souza, V P Rodrigues, E S Poças, F Noël, E X Albuquerque, P R Costa. Synthesis and preliminary pharmacological evaluation of coumestans with different patterns of oxygenation. Bioorganic & medicinal chemistry letters. 2001 Feb; 11(3):283-6. doi: 10.1016/s0960-894x(00)00621-1. [PMID: 11212092]