Ivalin (BioDeep_00000007411)

PANOMIX_OTCML-2023

代谢物信息卡片

[3aR-(3aalpha,4aalpha,7alpha,8abeta,9aalpha)]-Decahydro-7-hydroxy-8a-methyl-3,5-bis(methylene)-naphtho[2,3-b]furan-2(3H)-one

化学式: C15H20O3 (248.14123700000002)
中文名称:
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: C=C1C(=O)OC2CC3(C)CC(O)CC(=C)C3CC12
InChI: InChI=1S/C15H20O3/c1-8-4-10(16)6-15(3)7-13-11(5-12(8)15)9(2)14(17)18-13/h10-13,16H,1-2,4-7H2,3H3/t10-,11+,12-,13+,15+/m0/s1

描述信息

同义名列表

8 个代谢物同义名

Ivalin; (3aR,4aS,7S,8aR,9aR)-7-hydroxy-8a-methyl-3,5-dimethylidene-3a,4,4a,6,7,8,9,9a-octahydronaphtho[3,2-d]furan-2-one; (3aR,4aS,7S,8aR,9aR)-7-hydroxy-8a-methyl-3,5-dimethylene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one; Eudesma-4(14),11(13)-dien-12-oic acid, 2,8-dihydroxy-, gamma-lactone; 5938-03-4; NSC 85237; C09488; [3aR-(3aalpha,4aalpha,7alpha,8abeta,9aalpha)]-Decahydro-7-hydroxy-8a-methyl-3,5-bis(methylene)-naphtho[2,3-b]furan-2(3H)-one

数据库引用编号

12 个数据库交叉引用编号

ChEBI: CHEBI:6077
KEGG: C09488
PubChem: 65156
PubChem: 457941
Metlin: METLIN67742
ChEMBL: CHEMBL1644108
KNApSAcK: C00003310
CAS: 5938-03-4
PMhub: MS000020763
PubChem: 11679
3DMET: B03014
NIKKAJI: J12.745K

分类词条

倍半萜类

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)

41 个相关的物种来源信息

33090 金沸草: -
363416 Centaurea cadmea: 10.1007/S10600-007-0232-9
1486574 Centaurea pseudocadmea: 10.1007/S10600-007-0232-9
1548569 Geigeria aspera: 10.1016/S0031-9422(82)85040-1
183032 Greenmaniella resinosa: 10.1016/S0031-9422(00)81746-X
2770833 Aldama linearis: 10.1016/S0031-9422(00)83114-3
1532790 Dittrichia graveolens: 10.1016/0031-9422(93)85529-Z
53737 Sphagneticola trilobata: 10.1002/HLCA.201000301
305374 Klasea latifolia: 10.1016/0031-9422(88)83124-8
557628 Carpesium macrocephalum:
2558930 Carpesium faberi: 10.1016/J.BMCL.2010.10.138
119172 Carpesium abrotanoides: 10.1055/S-2002-33789
313933 Ondetia linearis: 10.1016/S0031-9422(00)97819-1
557638 Inula anatolica: 10.1016/0031-9422(90)85299-U
2770807 Aldama canescens: 10.1021/NP50039A026
1620121 Iva microcephala: 10.1021/JO01050A052
1620121 Iva microcephala: 10.1016/S0031-9422(00)97762-8
913330 Iva imbricata: 10.1016/S0031-9422(00)97762-8
119176 Pentanema britannicum: 10.1055/S-0030-1250345
119173 Carpesium cernuum: 10.1002/HLCA.200900275
41589 Inula: 10.1016/0031-9422(90)85299-U
363416 Centaurea cadmea: 10.1007/S10600-007-0232-9
1486574 Centaurea pseudocadmea: 10.1007/S10600-007-0232-9
1548569 Geigeria aspera: 10.1016/S0031-9422(82)85040-1
183032 Greenmaniella resinosa: 10.1016/S0031-9422(00)81746-X
2770833 Aldama linearis: 10.1016/S0031-9422(00)83114-3
1532790 Dittrichia graveolens: 10.1016/0031-9422(93)85529-Z
53737 Sphagneticola trilobata: 10.1002/HLCA.201000301
305374 Klasea latifolia: 10.1016/0031-9422(88)83124-8
557628 Carpesium macrocephalum:
2558930 Carpesium faberi: 10.1016/J.BMCL.2010.10.138
119172 Carpesium abrotanoides: 10.1055/S-2002-33789
313933 Ondetia linearis: 10.1016/S0031-9422(00)97819-1
557638 Inula anatolica: 10.1016/0031-9422(90)85299-U
2770807 Aldama canescens: 10.1021/NP50039A026
1620121 Iva microcephala: 10.1021/JO01050A052
1620121 Iva microcephala: 10.1016/S0031-9422(00)97762-8
913330 Iva imbricata: 10.1016/S0031-9422(00)97762-8
119176 Pentanema britannicum: 10.1055/S-0030-1250345
119173 Carpesium cernuum: 10.1002/HLCA.200900275
41589 Inula: 10.1016/0031-9422(90)85299-U

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

Gerda Fouche, Louis G J Ackerman, E Annette Venter, Y Zethu Mathe, Dave C Liles, Christo J Botha. Sesquiterpene lactones from Geigeria aspera Harv. and their cytotoxicity. Natural product research. 2021 Jul; 35(14):2353-2359. doi: 10.1080/14786419.2019.1675068. [PMID: 31617781]
Chunfeng Xie, Lingmei Sun, Linghao Meng, Meicheng Wang, Jing Xu, Mark Bartlam, Yuanqiang Guo. Sesquiterpenes from Carpesium macrocephalum inhibit Candida albicans biofilm formation and dimorphism. Bioorganic & medicinal chemistry letters. 2015 Nov; 25(22):5409-11. doi: 10.1016/j.bmcl.2015.09.013. [PMID: 26394911]
Mohamed-Elamir F Hegazy, Hisashi Matsuda, Seikou Nakamura, Mikuko Yabe, Tomoko Matsumoto, Masayuki Yoshikawa. Sesquiterpenes from an Egyptian herbal medicine, Pulicaria undulate, with inhibitory effects on nitric oxide production in RAW264.7 macrophage cells. Chemical & pharmaceutical bulletin. 2012; 60(3):363-70. doi: 10.1248/cpb.60.363. [PMID: 22382417]
Xu-Wen Li, Liang Weng, Xue Gao, Yun Zhao, Fei Pang, Jian-Hui Liu, Hong-Feng Zhang, Jin-Feng Hu. Antiproliferative and apoptotic sesquiterpene lactones from Carpesium faberi. Bioorganic & medicinal chemistry letters. 2011 Jan; 21(1):366-72. doi: 10.1016/j.bmcl.2010.10.138. [PMID: 21109433]
C L Cantrell, S G Franzblau, N H Fischer. Antimycobacterial plant terpenoids. Planta medica. 2001 Nov; 67(8):685-94. doi: 10.1055/s-2001-18365. [PMID: 11731906]
A R Gaspar, J A Verschoor, A W Neitz, N M Vermeulen. The influence of the sesquiterpene lactones from Geigeria on mast cell degranulation. Biochemical pharmacology. 1987 Aug; 36(15):2461-5. doi: 10.1016/0006-2952(87)90517-x. [PMID: 2440443]
A R Gaspar, D J Potgieter, N M Vermeulen. The effect of the sesquiterpene lactones from Geigeria on glycolytic enzymes. Biochemical pharmacology. 1986 Feb; 35(3):493-7. doi: 10.1016/0006-2952(86)90225-x. [PMID: 2936349]
C H van Aswegen, W M Lewko, J L Wittliff. Influence of phomopsin and ivalin on steroid-hormone binding and growth of MCF-7 human breast cancer cells. Journal of toxicology and environmental health. 1985; 16(1):13-23. doi: 10.1080/15287398509530715. [PMID: 4068051]
R Hahn, A Wendel, L Flohé. The fate of extracellular glutathione in the rat. Biochimica et biophysica acta. 1978 Mar; 539(3):324-37. doi: 10.1016/0304-4165(78)90037-5. [PMID: 24477]