Rotundifuran (BioDeep_00000233921)

   

PANOMIX_OTCML-2023


代谢物信息卡片


1,4-NAPHTHALENEDIOL, 1-(2-(3-FURANYL)ETHYL)DECAHYDRO-2,5,5,8A-TETRAMETHYL-, 4-ACETATE, (1R-(1.ALPHA.,2.ALPHA.,4.BETA.,4A.ALPHA.,8A.BETA.))-

化学式: C22H34O4 (362.24569640000004)
中文名称: 蔓荆呋喃
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 50%

分子结构信息

SMILES: C1CC([C@@H]2[C@](C1)([C@@]1([C@@H](C[C@H]2OC(=O)C)C)O[C@@]2(CC1)COC=C2)C)(C)C
InChI: InChI=1S/C22H34O4/c1-15-13-18(26-16(2)23)19-20(3,4)9-6-10-21(19,5)22(15,24)11-7-17-8-12-25-14-17/h8,12,14-15,18-19,24H,6-7,9-11,13H2,1-5H3/t15-,18-,19+,21+,22-/m1/s1

描述信息

Rotundifuran is a labdane diterpenoid that is isolated from the fruits of Vitex rotundifolia. It has a role as a plant metabolite, an apoptosis inducer and an antineoplastic agent. It is a labdane diterpenoid, an acetate ester, a member of furans, a tertiary alcohol and a carbobicyclic compound.
Rotundifuran is a natural product found in Vitex trifolia, Vitex rotundifolia, and Vitex agnus-castus with data available.
See also: Chaste tree fruit (part of).
A labdane diterpenoid that is isolated from the fruits of Vitex rotundifolia.

同义名列表

9 个代谢物同义名

1,4-NAPHTHALENEDIOL, 1-(2-(3-FURANYL)ETHYL)DECAHYDRO-2,5,5,8A-TETRAMETHYL-, 4-ACETATE, (1R-(1.ALPHA.,2.ALPHA.,4.BETA.,4A.ALPHA.,8A.BETA.))-; 1,4-NAPHTHALENEDIOL, 1-(2-(3-FURANYL)ETHYL)DECAHYDRO-2,5,5,8A-TETRAMETHYL-, 4-ACETATE, (1R-(1alpha,2alpha,4beta,4Aalpha,8Abeta))-; [(1R,3R,4R,4aS,8aS)-4-[2-(furan-3-yl)ethyl]-4-hydroxy-3,4a,8,8-tetramethyl-2,3,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate; 1,4-NAPHTHALENEDIOL, 1-(2-(3-FURANYL)ETHYL)DECAHYDRO-2,5,5,8A-TETRAMETHYL-, 4-ACETATE, (1R,2R,4R,4AS,8AS)-; (1R,3R,4R,4aS,8aS)-4-(2-(furan-3-yl)ethyl)-4-hydroxy-3,4a,8,8-tetramethyldecahydronaphthalen-1-yl acetate; (1R,3R,4R,4aS,8aS)-4-[2-(furan-3-yl)ethyl]-4-hydroxy-3,4a,8,8-tetramethyldecahydronaphthalen-1-yl acetate; UNII-T2UY9AYG4O; Rotundifuran; T2UY9AYG4O



数据库引用编号

11 个数据库交叉引用编号

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)

0 个相关的物种来源信息

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

  • Gang Gong, Yu-Li Shen, Hai-Yue Lan, Jin-Mei Jin, Pei An, Li-Jun Zhang, Li-Li Chen, Wei Peng, Xin Luan, Hong Zhang. The Cyr61 Is a Potential Target for Rotundifuran, a Natural Labdane-Type Diterpene from Vitex trifolia L., to Trigger Apoptosis of Cervical Cancer Cells. Oxidative medicine and cellular longevity. 2021; 2021(?):6677687. doi: 10.1155/2021/6677687. [PMID: 34234887]
  • Yuan Hu, Ting-Ting Hou, Qiao-Yan Zhang, Hai-Liang Xin, Han-Chen Zheng, Khalid Rahman, Lu-Ping Qin. Evaluation of the estrogenic activity of the constituents in the fruits of Vitex rotundifolia L. for the potential treatment of premenstrual syndrome. The Journal of pharmacy and pharmacology. 2007 Sep; 59(9):1307-12. doi: 10.1211/jpp.59.9.0016. [PMID: 17883902]
  • A M Díaz, V M Varela-Díaz. Detection of antigenic differences among street and fixed rabies virus strains by the counterimmunoelectrophoresis test. Zentralblatt fur Bakteriologie, Parasitenkunde, Infektionskrankheiten und Hygiene. Erste Abteilung Originale. Reihe A: Medizinische Mikrobiologie und Parasitologie. 1976 Nov; 236(2-3):185-90. doi: NULL. [PMID: 65070]