Demethylmedicarpin (BioDeep_00000003624)
Secondary id: BioDeep_00000270089
human metabolite PANOMIX_OTCML-2023 natural product
代谢物信息卡片
(6aR,11aR)-3,9-Dihydroxypterocarpan
化学式: C15H12O4 (256.0736)
中文名称: 3,9-二羟基紫檀碱
谱图信息:
最多检出来源 Viridiplantae(plant) 9.89%
分子结构信息
SMILES: c1(ccc2c(c1)OC[C@H]1[C@@H]2Oc2c1ccc(c2)O)O
InChI: InChI=1S/C15H12O4/c16-8-2-4-11-13(5-8)18-7-12-10-3-1-9(17)6-14(10)19-15(11)12/h1-6,12,15-17H,7H2
数据库引用编号
21 个数据库交叉引用编号
- ChEBI: CHEBI:15648
- KEGG: C04271
- PubChem: 3347979
- PubChem: 162933
- HMDB: HMDB0138504
- Metlin: METLIN64312
- ChEMBL: CHEMBL1098413
- ChEMBL: CHEMBL238823
- MetaCyc: CPD-4402
- KNApSAcK: C00009610
- CAS: 61135-91-9
- PMhub: MS000010444
- PubChem: 6934
- LipidMAPS: LMPK12070029
- 3DMET: B01728
- NIKKAJI: J346.404K
- RefMet: (6aR,11aR)-3,9-Dihydroxypterocarpan
- LOTUS: LTS0134551
- wikidata: Q27098166
- KNApSAcK: 15648
- LOTUS: LTS0151769
分类词条
相关代谢途径
Reactome(0)
代谢反应
21 个相关的代谢反应过程信息。
Reactome(0)
BioCyc(3)
- (-)-glycinol biosynthesis:
(6aR,11aR)-3,9-dihydroxypterocarpan + O2 + a reduced [NADPH-hemoprotein reductase] ⟶ (-)-glycinol + H2O + an oxidized [NADPH-hemoprotein reductase] - superpathway of pterocarpan biosynthesis (via daidzein):
(-)-glycinol + DMAPP ⟶ (6αS,11αS)-2-dimethylallyl-3,6α,9-trihydroxypterocarpan + diphosphate - phaseollin biosynthesis:
(-)-phaseollidin + H+ + NADPH + O2 ⟶ (-)-phaseollin + H2O + NADP+
WikiPathways(0)
Plant Reactome(0)
INOH(0)
PlantCyc(18)
- superpathway of pterocarpan biosynthesis (via daidzein):
2,4',7-trihydroxyisoflavanone ⟶ H2O + daidzein - phaseollin biosynthesis:
(6aR,11aR)-3,9-dihydroxypterocarpan + DMAPP ⟶ (-)-phaseollidin + diphosphate - superpathway of pterocarpan biosynthesis (via daidzein):
(6αS,11αS)-2-dimethylallyl-3,6α,9-trihydroxypterocarpan + O2 + a reduced [NADPH-hemoprotein reductase] ⟶ H2O + an oxidized [NADPH-hemoprotein reductase] + glyceollin II - phaseollin biosynthesis:
(-)-phaseollidin + H+ + NADPH + O2 ⟶ (-)-phaseollin + H2O + NADP+ - phaseollin biosynthesis:
(6aR,11aR)-3,9-dihydroxypterocarpan + DMAPP ⟶ (-)-phaseollidin + diphosphate - superpathway of pterocarpan biosynthesis (via daidzein):
2,4',7-trihydroxyisoflavanone ⟶ H2O + daidzein - (-)-glycinol biosynthesis:
O2 + a reduced [NADPH-hemoprotein reductase] + daidzein ⟶ 2'-hydroxydaidzein + H2O + an oxidized [NADPH-hemoprotein reductase] - (-)-glycinol biosynthesis:
O2 + a reduced [NADPH-hemoprotein reductase] + daidzein ⟶ 2'-hydroxydaidzein + H2O + an oxidized [NADPH-hemoprotein reductase] - (-)-glycinol biosynthesis:
(3R)-2'-hydroxydihydrodaidzein + NADP+ ⟶ 2'-hydroxydaidzein + H+ + NADPH - phaseollin biosynthesis:
(6aR,11aR)-3,9-dihydroxypterocarpan + DMAPP ⟶ (-)-phaseollidin + diphosphate - phaseollin biosynthesis:
(6aR,11aR)-3,9-dihydroxypterocarpan + DMAPP ⟶ (-)-phaseollidin + diphosphate - superpathway of pterocarpan biosynthesis (via daidzein):
O2 + a reduced [NADPH-hemoprotein reductase] + daidzein ⟶ 2'-hydroxydaidzein + H2O + an oxidized [NADPH-hemoprotein reductase] - (-)-glycinol biosynthesis:
O2 + a reduced [NADPH-hemoprotein reductase] + daidzein ⟶ 2'-hydroxydaidzein + H2O + an oxidized [NADPH-hemoprotein reductase] - (-)-glycinol biosynthesis:
O2 + a reduced [NADPH-hemoprotein reductase] + daidzein ⟶ 2'-hydroxydaidzein + H2O + an oxidized [NADPH-hemoprotein reductase] - (-)-glycinol biosynthesis:
(3R,4R)-7,2',4'-trihydroxyisoflavanol + NADP+ ⟶ (3R)-2'-hydroxydihydrodaidzein + H+ + NADPH - (-)-glycinol biosynthesis:
O2 + a reduced [NADPH-hemoprotein reductase] + daidzein ⟶ 2'-hydroxydaidzein + H2O + an oxidized [NADPH-hemoprotein reductase] - (-)-glycinol biosynthesis:
O2 + a reduced [NADPH-hemoprotein reductase] + daidzein ⟶ 2'-hydroxydaidzein + H2O + an oxidized [NADPH-hemoprotein reductase] - (-)-glycinol biosynthesis:
O2 + a reduced [NADPH-hemoprotein reductase] + daidzein ⟶ 2'-hydroxydaidzein + H2O + an oxidized [NADPH-hemoprotein reductase]
COVID-19 Disease Map(0)
PathBank(0)
PharmGKB(0)
29 个相关的物种来源信息
- 48131 - Amorpha fruticosa: 10.1016/S0031-9422(97)00960-6
- 3818 - Arachis hypogaea: 10.1111/J.1365-3059.1995.TB01679.X
- 132433 - Calopogonium mucunoides: 10.1515/ZNC-1985-7-805
- 53866 - Desmodium: LTS0151769
- 3841 - Erythrina: LTS0151769
- 1237573 - Erythrina abyssinica: 10.1016/J.BMCL.2010.09.077
- 1237573 - Erythrina abyssinica: 10.1021/NP900745G
- 1237573 - Erythrina abyssinica: LTS0151769
- 49817 - Erythrina crista-galli:
- 556509 - Erythrina fusca: 10.1016/J.FITOTE.2010.01.009
- 556509 - Erythrina fusca: LTS0151769
- 3844 - Erythrina latissima:
- 647292 - Erythrina poeppigiana:
- 647292 - Erythrina poeppigiana: 10.1016/0031-9422(80)83084-6
- 647292 - Erythrina poeppigiana: 10.1016/S0031-9422(03)00184-5
- 647292 - Erythrina poeppigiana: LTS0151769
- 2590719 - Erythrina sandwicensis:
- 2759 - Eukaryota: LTS0151769
- 3803 - Fabaceae: LTS0151769
- 648866 - Grona styracifolia: 10.1016/J.PHYTOCHEM.2007.02.015
- 9606 - Homo sapiens: -
- 3398 - Magnoliopsida: LTS0151769
- 3883 - Phaseolus: 10.1016/0031-9422(80)85139-9
- 3883 - Phaseolus: LTS0151769
- 3885 - Phaseolus vulgaris: 10.1016/0031-9422(80)85139-9
- 3885 - Phaseolus vulgaris: LTS0151769
- 35493 - Streptophyta: LTS0151769
- 58023 - Tracheophyta: LTS0151769
- 33090 - Viridiplantae: LTS0151769
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
- Phongsak Innok, Thitima Rukachaisirikul, Souwalak Phongpaichit, Apichart Suksamrarn. Fuscacarpans A-C, new pterocarpans from the stems of Erythrina fusca.
Fitoterapia.
2010 Sep; 81(6):518-23. doi:
10.1016/j.fitote.2010.01.009. [PMID: 20079815] - Phi Hung Nguyen, Thi Ngoc Anh Nguyen, Keon Wook Kang, Derek Tantoh Ndinteh, Joseph Tanyi Mbafor, Young Ran Kim, Won Keun Oh. Prenylated pterocarpans as bacterial neuraminidase inhibitors.
Bioorganic & medicinal chemistry.
2010 May; 18(9):3335-44. doi:
10.1016/j.bmc.2010.03.005. [PMID: 20363636] - Rakesh Maurya, Dinesh K Yadav, Geetu Singh, Biju Bhargavan, P S Narayana Murthy, Mahendra Sahai, Man Mohan Singh. Osteogenic activity of constituents from Butea monosperma.
Bioorganic & medicinal chemistry letters.
2009 Feb; 19(3):610-3. doi:
10.1016/j.bmcl.2008.12.064. [PMID: 19124244] - Gardenia C G Militão, Sávio M Pinheiro, Ivana N F Dantas, Cláudia Pessoa, Manoel Odorico de Moraes, Leti Cia V Costa-Lotufo, Mary Anne S Lima, Edilberto R Silveira. Bioassay-guided fractionation of pterocarpans from roots of Harpalyce brasiliana Benth.
Bioorganic & medicinal chemistry.
2007 Nov; 15(21):6687-91. doi:
10.1016/j.bmc.2007.08.011. [PMID: 17764956] - Hisashi Matsuda, Kazutoshi Yoshida, Katsutoshi Miyagawa, Yasunobu Asao, Saya Takayama, Souichi Nakashima, Fengming Xu, Masayuki Yoshikawa. Rotenoids and flavonoids with anti-invasion of HT1080, anti-proliferation of U937, and differentiation-inducing activity in HL-60 from Erycibe expansa.
Bioorganic & medicinal chemistry.
2007 Feb; 15(3):1539-46. doi:
10.1016/j.bmc.2006.09.024. [PMID: 17158054] - M Sato, H Tanaka, R Yamaguchi, T Oh-Uchi, H Etoh. Erythrina poeppigiana-derived phytochemical exhibiting antimicrobial activity against Candida albicans and methicillin-resistant Staphylococcus aureus.
Letters in applied microbiology.
2003; 37(1):81-5. doi:
10.1046/j.1472-765x.2003.01352.x. [PMID: 12803562] - . .
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. doi:
. [PMID: 6540173]
