Dicaffeoylquinic acid (BioDeep_00000018770)
Main id: BioDeep_00000230380
human metabolite PANOMIX_OTCML-2023 Endogenous natural product
代谢物信息卡片
化学式: C25H24O12 (516.1268)
中文名称: 异绿原酸A
谱图信息:
最多检出来源 () 0%
分子结构信息
SMILES: C1[C@](C[C@H]([C@H]([C@@H]1OC(=O)/C=C/c1ccc(c(c1)O)O)O)OC(=O)/C=C/c1ccc(c(c1)O)O)(O)C(=O)O
InChI: InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1
描述信息
Isolated from coffee and maté, globe artichoke (Cynara scolymus) and caucasian whortleberry (Vaccinium arctostaphylos). 3,5-Di-O-caffeoylquinic acid is found in many foods, some of which are potato, green vegetables, coffee and coffee products, and carrot.
Dicaffeoylquinic acid is a polyphenol compound found in foods of plant origin (PMID: 20428313)
Isochlorogenic acid A (3,5-Dicaffeoylquinic acid) is a natural phenolic acid with antioxidant and anti-inflammatory activities .
Isochlorogenic acid A (3,5-Dicaffeoylquinic acid) is a natural phenolic acid with antioxidant and anti-inflammatory activities .
同义名列表
19 个代谢物同义名
(1S,3R,4S,5R)-3,5-bis({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1,4-dihydroxycyclohexane-1-carboxylic acid; (1S,3R,4S,5R)-1,3,4,5-Tetrahydroxy-1-carboxycyclohexane3,5-di-3-(3,4-dihydroxyphenyl)propenoic acid; (1S,3R,4S,5R)-1,3,4,5-tetrahydroxy-1-carboxycyclohexane3,5-di-3-(3,4-dihydroxyphenyl)propenoate; Quinic acid 3,5-di-O-caffeic acid; Quinic acid 3,5-di-O-caffeate; 3,5-di-O-caffeoylquinic acid; Quinate 3,5-di-O-caffeate; 3,5-Di-O-caffeoyl quinate; 3,5-dicaffeoylquinic acid; 3,5-Di-O-caffeoylquinate; Dicaffeoylquinic acid; Isochlorogenic acid A; 3,5-dicaffeoylquinate; Isochlorogenate a; Dicaffeoylquinate; 3,5-DCQA; sochlorogenic acid a; 3,5-di-O-caffeate; 3,5-CQA
数据库引用编号
10 个数据库交叉引用编号
- PubChem: 60150332
- HMDB: HMDB0029280
- Wikipedia: Cynarine
- KNApSAcK: C00029481
- foodb: FDB002628
- chemspider: 22912767
- CAS: 2450-53-5
- PMhub: MS000010911
- medchemexpress: HY-N0056
- LOTUS: LTS0177751
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)
181 个相关的物种来源信息
- 5598 - Alternaria: LTS0177751
- 5599 - Alternaria alternata: 10.1016/S0031-9422(97)00621-3
- 5599 - Alternaria alternata: LTS0177751
- 60094 - Antonia: LTS0177751
- 60095 - Antonia ovata: 10.1016/J.PHYTOCHEM.2009.11.007
- 60095 - Antonia ovata: LTS0177751
- 4037 - Apiaceae: LTS0177751
- 4294 - Aquifoliaceae: LTS0177751
- 4217 - Arctium lappa: 10.1248/CPB.55.150
- 4246 - Arnica: LTS0177751
- 436207 - Arnica montana: 10.1016/J.PHYTOCHEM.2005.11.018
- 436207 - Arnica montana: LTS0177751
- 4219 - Artemisia: LTS0177751
- 6656 - Arthropoda: LTS0177751
- 4890 - Ascomycota: LTS0177751
- 41479 - Aster: LTS0177751
- 415155 - Aster indicus: 10.1016/J.PHYTOCHEM.2007.05.027
- 415155 - Aster indicus: LTS0177751
- 947972 - Aster koraiensis:
- 947972 - Aster koraiensis: 10.1021/NP200646E
- 947972 - Aster koraiensis: LTS0177751
- 385370 - Aster scaber: 10.1248/CPB.48.1796
- 385370 - Aster scaber: LTS0177751
- 4210 - Asteraceae: LTS0177751
- 41487 - Baccharis: LTS0177751
- 72900 - Baccharis dracunculifolia: 10.1248/CPB.49.1388
- 72900 - Baccharis dracunculifolia: LTS0177751
- 427666 - Baccharis salicifolia: LTS0177751
- 42336 - Bidens: LTS0177751
- 42337 - Bidens pilosa: 10.1055/S-2004-832645
- 42337 - Bidens pilosa: LTS0177751
- 102753 - Brickellia: 10.1021/NP300204P
- 283086 - Bridelia: LTS0177751
- 319147 - Bridelia ferruginea: 10.1055/S-1999-14059
- 319147 - Bridelia ferruginea: LTS0177751
- 43068 - Centella: LTS0177751
- 48106 - Centella asiatica: 10.1016/J.FITOTE.2011.05.008
- 48106 - Centella asiatica: 10.1248/BPB.30.935
- 48106 - Centella asiatica: LTS0177751
- 54707 - Chaerophyllum: LTS0177751
- 109101 - Chaerophyllum hirsutum: 10.1021/NP040046W
- 109101 - Chaerophyllum hirsutum: LTS0177751
- 13422 - Chrysanthemum: LTS0177751
- 41568 - Chrysanthemum × morifolium: 10.1055/S-2005-873181
- 13442 - Coffea: 10.1021/JF0485436
- 13442 - Coffea: 10.1021/JF060460X
- 13442 - Coffea: LTS0177751
- 13443 - Coffea arabica: 10.1021/JF0485436
- 13443 - Coffea arabica: LTS0177751
- 49390 - Coffea canephora: 10.1021/JF0485436
- 49390 - Coffea canephora: LTS0177751
- 4118 - Convolvulaceae: LTS0177751
- 93758 - Corchorus: LTS0177751
- 93759 - Corchorus olitorius: 10.1021/JF990347P
- 93759 - Corchorus olitorius: LTS0177751
- 189210 - Crassocephalum: LTS0177751
- 189211 - Crassocephalum crepidioides: 10.1248/BPB.28.19
- 189211 - Crassocephalum crepidioides: LTS0177751
- 197371 - Cressa: LTS0177751
- 1465651 - Cressa cretica: 10.1016/J.FITOTE.2004.05.008
- 1465651 - Cressa cretica: LTS0177751
- 36609 - Cydonia: 10.1007/S00217-003-0845-6
- 36609 - Cydonia: 10.1021/JF903836K
- 36609 - Cydonia: LTS0177751
- 648857 - Dichrocephala: LTS0177751
- 72926 - Doellingeria: LTS0177751
- 147541 - Dothideomycetes: LTS0177751
- 9370 - Echinops: LTS0177751
- 2759 - Eukaryota: LTS0177751
- 13516 - Eupatorium: LTS0177751
- 102777 - Eupatorium perfoliatum: 10.3390/MOLECULES14010036
- 102777 - Eupatorium perfoliatum: LTS0177751
- 4751 - Fungi: LTS0177751
- 43486 - Gardenia: LTS0177751
- 114476 - Gardenia jasminoides: 10.1021/NP050447R
- 114476 - Gardenia jasminoides: LTS0177751
- 1478145 - Glebionis: LTS0177751
- 99038 - Glebionis coronaria: 10.1021/JF960182+
- 99038 - Glebionis coronaria: LTS0177751
- 59430 - Helichrysum: LTS0177751
- 261805 - Helichrysum stoechas: 10.1016/S0731-7085(00)00431-3
- 261805 - Helichrysum stoechas: 10.1023/B:CONC.0000033925.00693.7B
- 261805 - Helichrysum stoechas: LTS0177751
- 174463 - Helminthotheca echioides: 10.1016/0305-1978(93)90061-U
- 102745 - Hieracium: LTS0177751
- 546191 - Hieracium gymnocephalum: 10.1016/S0031-9422(98)00536-6
- 546191 - Hieracium gymnocephalum: LTS0177751
- 9606 - Homo sapiens: -
- 4295 - Ilex: LTS0177751
- 185491 - Ilex argentina: 10.1016/S0367-326X(01)00331-8
- 185491 - Ilex argentina: LTS0177751
- 53199 - Ilex brevicuspis: 10.1016/S0367-326X(01)00331-8
- 53199 - Ilex brevicuspis: LTS0177751
- 53202 - Ilex dumosa: 10.1016/S0367-326X(01)00331-8
- 53202 - Ilex dumosa: LTS0177751
- 224367 - Ilex dumosa var. dumosa: 10.1016/S0367-326X(01)00331-8
- 224367 - Ilex dumosa var. dumosa: LTS0177751
- 185533 - Ilex microdonta: 10.1016/S0367-326X(01)00331-8
- 185533 - Ilex microdonta: LTS0177751
- 185542 - Ilex paraguariensis: 10.1016/S0367-326X(01)00331-8
- 185542 - Ilex paraguariensis: LTS0177751
- 53210 - Ilex pseudobuxus: 10.1016/S0367-326X(01)00331-8
- 53210 - Ilex pseudobuxus: LTS0177751
- 224368 - Ilex taubertiana: 10.1016/S0367-326X(01)00331-8
- 224368 - Ilex taubertiana: LTS0177751
- 50557 - Insecta: LTS0177751
- 4119 - Ipomoea: LTS0177751
- 4120 - Ipomoea batatas:
- 4120 - Ipomoea batatas: 10.1021/JF020120L
- 4120 - Ipomoea batatas: 10.1021/JF061687V
- 4120 - Ipomoea batatas: 10.1271/BBB.66.2336
- 4120 - Ipomoea batatas: 10.1271/BBB.70.172
- 4120 - Ipomoea batatas: LTS0177751
- 129201 - Ipomoea cairica: 10.1007/S10600-005-0178-8
- 129201 - Ipomoea cairica: LTS0177751
- 89656 - Ipomoea pes-caprae: 10.1021/NP0500631
- 89656 - Ipomoea pes-caprae: LTS0177751
- 4235 - Lactuca: LTS0177751
- 75953 - Lactuca indica: 10.1016/J.BMCL.2007.10.046
- 75953 - Lactuca indica: LTS0177751
- 58659 - Leontodon: LTS0177751
- 122540 - Leontodon saxatilis: 10.1016/0305-1978(93)90061-U
- 26468 - Loganiaceae: LTS0177751
- 3398 - Magnoliopsida: LTS0177751
- 3629 - Malvaceae: LTS0177751
- 183055 - Neurolaena: LTS0177751
- 183056 - Neurolaena lobata: 10.1055/S-2006-959501
- 183056 - Neurolaena lobata: LTS0177751
- 1745122 - Ophryosporus: LTS0177751
- 49559 - Ostericum: LTS0177751
- 182415 - Ostericum grosseserratum: 10.1248/CPB.55.1065
- 182415 - Ostericum grosseserratum: LTS0177751
- 56018 - Petasites: LTS0177751
- 186965 - Petasites japonicus: 10.3987/COM-06-10858
- 186965 - Petasites japonicus: LTS0177751
- 594676 - Phagnalon: LTS0177751
- 943712 - Phagnalon rupestre: 10.1021/NP100934U
- 943712 - Phagnalon rupestre: 10.1055/S-2002-32566
- 943712 - Phagnalon rupestre: LTS0177751
- 233880 - Phyllanthaceae: LTS0177751
- 33090 - Plants: -
- 28556 - Pleosporaceae: LTS0177751
- 119083 - Psydrax: LTS0177751
- 258757 - Psydrax schimperiana: 10.1016/0031-9422(96)00018-0
- 258757 - Psydrax schimperiana: LTS0177751
- 23211 - Pyrus communis: 10.1021/JF00042A002
- 356590 - Pyrus pyraster: 10.1021/JF00042A002
- 3745 - Rosaceae: LTS0177751
- 24966 - Rubiaceae: LTS0177751
- 71983 - Sanicula graveolens: 10.1002/(SICI)1099-1573(199908/09)13:5<422::AID-PTR462>3.0.CO;2-M
- 114288 - Scorzonera: LTS0177751
- 261608 - Scorzonera latifolia: 10.1080/14786419.2010.533666
- 1439928 - Scorzonera pseudodivaricata: 10.1021/NP070013R
- 673751 - Scorzoneroides: LTS0177751
- 176612 - Smallanthus: LTS0177751
- 185202 - Smallanthus sonchifolius: 10.1021/JF020735I
- 185202 - Smallanthus sonchifolius: LTS0177751
- 59293 - Solidago: LTS0177751
- 59297 - Solidago canadensis: 10.1002/CHIN.200828176
- 59297 - Solidago canadensis: LTS0177751
- 462879 - Solidago virgaurea: LTS0177751
- 35493 - Streptophyta: LTS0177751
- 26496 - Strychnos: 10.1016/J.PHYTOCHEM.2007.12.002
- 26496 - Strychnos: LTS0177751
- 1037789 - Strychnos axillaris: 10.1016/J.PHYTOCHEM.2007.12.002
- 1037789 - Strychnos axillaris: LTS0177751
- 669848 - Taraxacum croceum: 10.1016/0305-1978(93)90061-U
- 1301465 - Taraxacum lapponicum: 10.1016/0305-1978(93)90061-U
- 50225 - Taraxacum officinale: 10.1016/0305-1978(93)90061-U
- 58023 - Tracheophyta: LTS0177751
- 122557 - Urospermum dalechampii: 10.1016/0305-1978(93)90061-U
- 268113 - Urospermum picroides: 10.1016/0305-1978(93)90061-U
- 33090 - Viridiplantae: LTS0177751
- 356335 - Werneria: LTS0177751
- 462589 - Werneria nubigena: 10.1016/S0031-9422(97)00341-5
- 36590 - Xanthium: LTS0177751
- 318068 - Xanthium strumarium: 10.1016/0031-9422(93)85551-2
- 318068 - Xanthium strumarium: LTS0177751
- 89038 - Youngia: LTS0177751
- 89039 - Youngia japonica: 10.1248/CPB.57.719
- 89039 - Youngia japonica: LTS0177751
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。
亚细胞结构定位 | 关联基因列表 |
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