Arbusculin A (BioDeep_00000007277)

PANOMIX_OTCML-2023 Volatile Flavor Compounds natural product

代谢物信息卡片

[3aS-(3aalpha,5abeta,9alpha,9aalpha,9bbeta)]-Decahydro-9-hydroxy-5a,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2(3H)-one

化学式: C15H22O3 (250.1568862)
中文名称: 矮艾素A
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 8.13%

分子结构信息

SMILES: C1C[C@]([C@H]2[C@](C1)(CC[C@@H]1[C@@H]2OC(=O)C1=C)C)(O)C
InChI: InChI=1S/C15H22O3/c1-9-10-5-8-14(2)6-4-7-15(3,17)12(14)11(10)18-13(9)16/h10-12,17H,1,4-8H2,2-3H3/t10-,11-,12+,14+,15+/m0/s1

描述信息

A sesquiterpene lactone isolated from Saussureae Radix and has been shown to exhibit inhibitory activity against melanogenesis.

同义名列表

4 个代谢物同义名

Arbusculin A; [3aS-(3aalpha,5abeta,9alpha,9aalpha,9bbeta)]-Decahydro-9-hydroxy-5a,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2(3H)-one; (+)-Arbusculin A; Arbusculin A

数据库引用编号

15 个数据库交叉引用编号

ChEBI: CHEBI:2805
KEGG: C09295
PubChem: 160153
PubChem: 5089293
Metlin: METLIN67581
ChEMBL: CHEMBL446602
KNApSAcK: C00003213
CAS: 27652-22-8
PMhub: MS000020599
MetaboLights: MTBLC2805
PubChem: 11486
3DMET: B02838
NIKKAJI: J20.240A
KNApSAcK: 2805
LOTUS: LTS0102324

分类词条

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)

35 个相关的物种来源信息

86307 - Artemisia arbuscula: 10.1016/S0031-9422(00)88163-7
55611 - Artemisia tridentata: 10.1016/S0031-9422(00)88163-7
4210 - Asteraceae: LTS0102324
41837 - Conocephalaceae: LTS0102324
41838 - Conocephalum: LTS0102324
134427 - Conocephalum japonicum: 10.1016/S0031-9422(00)95098-2
134427 - Conocephalum japonicum: LTS0102324
434654 - Eremanthus: LTS0102324
434655 - Eremanthus erythropappus: 10.1021/NP50042A020
434655 - Eremanthus erythropappus: LTS0102324
2759 - Eukaryota: LTS0102324
95763 - Frullania: LTS0102324
95764 - Frullania tamarisci:
95764 - Frullania tamarisci: 10.1016/0031-9422(90)85298-T
95764 - Frullania tamarisci: 10.1016/0031-9422(91)83633-V
95764 - Frullania tamarisci: 10.1248/CPB.46.542
95764 - Frullania tamarisci: LTS0102324
400721 - Frullaniaceae: LTS0102324
99055 - Gonospermum: LTS0102324
127995 - Gonospermum ferulaceum: 10.1016/0031-9422(90)83068-C
127995 - Gonospermum ferulaceum: LTS0102324
186771 - Jungermanniopsida: LTS0102324
3398 - Magnoliopsida: LTS0102324
3195 - Marchantiophyta: LTS0102324
186770 - Marchantiopsida: LTS0102324
41629 - Saussurea: LTS0102324
324593 - Saussurea costus: 10.1007/S12272-001-1154-0
324593 - Saussurea costus: 10.1021/NP030147E
324593 - Saussurea costus: LTS0102324
324593 - Saussurea costus: NA
35493 - Streptophyta: LTS0102324
99105 - Tanacetum: LTS0102324
127995 - Tanacetum ferulaceum: 10.1016/0031-9422(90)83068-C
58023 - Tracheophyta: LTS0102324
33090 - Viridiplantae: LTS0102324

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

Ji Young Choi, Eun Hyang Choi, Hee Wook Jung, Joon Seok Oh, Won-Hee Lee, Jong Gu Lee, Jong-Keun Son, Youngsoo Kim, Seung Ho Lee. Melanogenesis inhibitory compounds from Saussureae Radix. Archives of pharmacal research. 2008 Mar; 31(3):294-9. doi: 10.1007/s12272-001-1154-0. [PMID: 18409040]
Chang-Ming Sun, Wan-Jr Syu, Ming-Jaw Don, Jang-Jih Lu, Gum-Hee Lee. Cytotoxic sesquiterpene lactones from the root of Saussurea lappa. Journal of natural products. 2003 Sep; 66(9):1175-80. doi: 10.1021/np030147e. [PMID: 14510592]
M Ando, K Isogai, H Azami, N Hirata, H Yamazaki, Y Yanagi. Studies on the synthesis of sesquiterpene lactones, 14. Syntheses of (-)-arbusclin D and (+)-4-EPI-arbusclin D: the stereochemical assignment of arbusclin D. Journal of natural products. 1992 Nov; 55(11):1620-5. doi: 10.1021/np50089a009. [PMID: 1479379]
M Ando, K Isogai, H Azami, N Hirata, Y Yanagi. Studies on the synthesis of sesquiterpene lactones, 12. Synthesis of (+)-colartin, (+)-arbusculin A, and their C-4 epimers and their biological activities. Journal of natural products. 1991 Jul; 54(4):1017-24. doi: 10.1021/np50076a015. [PMID: 1791470]