Ayapin (BioDeep_00000012064)

human metabolite

代谢物信息卡片

2H,6H-[1,3]dioxolo[4,5-g]chromen-6-one

化学式: C10H6O4 (190.0266076)
中文名称:
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: C1OC2=C(O1)C=C3C(=C2)C=CC(=O)O3
InChI: InChI=1S/C10H6O4/c11-10-2-1-6-3-8-9(13-5-12-8)4-7(6)14-10/h1-4H,5H2

描述信息

Ayapin belongs to coumarins and derivatives class of compounds. Those are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one). Ayapin is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Ayapin can be found in sunflower, which makes ayapin a potential biomarker for the consumption of this food product.

同义名列表

3 个代谢物同义名

2H,6H-[1,3]dioxolo[4,5-g]chromen-6-one; 2H-[1,3]dioxolo[4,5-g]chromen-6-one; Ayapin

数据库引用编号

14 个数据库交叉引用编号

ChEBI: CHEBI:81483
KEGG: C18078
PubChem: 3083597
HMDB: HMDB0301806
Metlin: METLIN72015
ChEMBL: CHEMBL595798
MetaCyc: CPD-9827
KNApSAcK: C00000578
foodb: FDB001439
chemspider: 2340777
CAS: 494-56-4
PMhub: MS000026342
PubChem: 96024295
NIKKAJI: J11.816H

分类词条

Coumarins and derivatives

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)

18 个相关的物种来源信息

1745183 - Ageratum fastigiatum: 10.1016/0031-9422(83)85036-5
335179 - Cistus laurifolius: 10.1016/S0021-9673(01)88918-4
161866 - Dendrobium densiflorum:
117978 - Dendrobium thyrsiflorum: 10.1007/S10600-011-9902-8
330892 - Eupatorium fortunei: 10.1055/S-2006-959741
212301 - Euphorbia humifusa: 10.1016/J.BMCL.2014.03.014
4232 - Helianthus annuus: 10.1016/S0031-9422(00)94505-9
73275 - Helianthus argophyllus: 10.1016/S0031-9422(00)94505-9
4234 - Helianthus petiolaris: 10.1016/S0031-9422(00)94505-9
73306 - Helianthus praecox: 10.1016/S0031-9422(00)94505-9
4233 - Helianthus tuberosus: 10.1016/S0031-9422(97)01036-4
2816892 - Heteroplexis microcephala: 10.1021/NP900213W
9606 - Homo sapiens: -
1745130 - Platypodanthera melissifolia: 10.1016/0031-9422(88)80060-8
1548649 - Pterocaulon polystachyum:
1548651 - Pterocaulon redolens: 10.3987/COM-03-S16
1548653 - Pterocaulon serrulatum: 10.1016/S0031-9422(98)00460-9
1257061 - Pterocaulon virgatum: 10.1016/S0031-9422(98)00020-X

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

Ana Cristina Stein, Sandra Alvarez, César Avancini, Susana Zacchino, Gilsane von Poser. Antifungal activity of some coumarins obtained from species of Pterocaulon (Asteraceae). Journal of ethnopharmacology. 2006 Aug; 107(1):95-8. doi: 10.1016/j.jep.2006.02.009. [PMID: 16574360]
Nancy Vera, Susana Popich, Liliana Luna, Raquel Cravero, Manuel González Sierra, Alicia Bardón. Toxicity and synergism in the feeding deterrence of some coumarins on Spodoptera frugiperda Smith (Lepidoptera: Noctuidae). Chemistry & biodiversity. 2006 Jan; 3(1):21-6. doi: 10.1002/cbdv.200690002. [PMID: 17193211]
Elita Scio, Antônia Ribeiro, Tânia M A Alves, Alvaro J Romanha, José Dias de Souza Filho, Geoffrey A Cordell, Carlos L Zani. Diterpenes from Alomia myriadenia (Asteraceae) with cytotoxic and trypanocidal activity. Phytochemistry. 2003 Nov; 64(6):1125-31. doi: 10.1016/s0031-9422(03)00529-6. [PMID: 14568079]