(3S,6E)-Nerolidol (BioDeep_00001868519)

PANOMIX_OTCML-2023

代谢物信息卡片

[S-(E)]-3,7,11-trimethyldodeca-1,6,10-trien-3-ol

化学式: C15H26O (222.1983546)
中文名称: 反-(+)-橙花叔醇
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: C=CC(O)(C)CC/C=C(C)/CC/C=C(C)/C
InChI: InChI=1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3/b14-11+/t15-/m1/s1

描述信息

A (6E)-nerolidol in which the hydroxy group at positon 3 adopts an S-configuration.
Nerolidol is a natural membrane-active sesquiterpene, with antitumor, antibacterial, antifungal and antiparasitic activity[1].
Nerolidol is a natural membrane-active sesquiterpene, with antitumor, antibacterial, antifungal and antiparasitic activity[1].

同义名列表

3 个代谢物同义名

[S-(E)]-3,7,11-trimethyldodeca-1,6,10-trien-3-ol; (3S,6E)-Nerolidol; Nerolidol

数据库引用编号

13 个数据库交叉引用编号

ChEBI: CHEBI:59958
KEGG: C09704
PubChem: 5281525
ChEMBL: CHEMBL1923157
CAS: 1119-38-6
MetaboLights: MTBLC59958
PubChem: 11893
LipidMAPS: LMPR0103010005
KNApSAcK: C00003166
CAS: 7212-44-4
3DMET: B03209
NIKKAJI: J8.909E
medchemexpress: HY-N1944

分类词条

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)

49 个相关的物种来源信息

97171 - Abies nephrolepis: 10.1007/BF00574245
590040 - Abies sachalinensis var. gracilis: 10.1007/BF00638774
97169 - Abies sibirica: 10.1007/BF00574818
260130 - Acca sellowiana: 10.3390/MOLECULES24112053
52820 - Acokanthera oblongifolia: 10.1055/S-0028-1099492
637926 - Aframomum letestuanum: 10.1016/J.PHYTOCHEM.2005.10.015
199617 - Aframomum sceptrum: 10.1016/S0031-9422(02)00075-4
4678 - Allium: 10.1016/J.PHYTOCHEM.2015.02.003
378682 - Arctotis aspera: 10.1016/0031-9422(90)89036-9
401941 - Artemisia xanthochroa: 10.1016/0031-9422(90)85307-2
85954 - Callitropsis nootkatensis: 10.1016/S0031-9422(00)85772-6
1284881 - Cassinia subtropica: 10.1016/0031-9422(88)83027-9
317272 - Cineraria parvifolia: 10.1016/0031-9422(82)85251-5
558547 - Citrus deliciosa: 10.1016/J.PHYTOCHEM.2009.07.031
37334 - Citrus maxima: 10.1016/J.PHYTOCHEM.2009.07.031
85571 - Citrus reticulata: 10.1016/J.PHYTOCHEM.2009.07.031
330892 - Eupatorium Fortunei Turcz: -
1721051 - Foveolina dichotoma: 10.1016/0031-9422(88)80289-9
56528 - Geigeria ornativa: 10.1016/0031-9422(89)80289-4
71610 - Hedychium coronarium:
630321 - Helichrysum mimetes: 10.1016/S0031-9422(00)81569-1
124772 - Illicium Difengpi K. L. B. Et K. I. M.: -
883867 - Matricaria discoidea: 10.1016/S0031-9422(00)97295-9
56017 - Matricaria matricarioides: 10.1016/S0031-9422(00)97295-9
204149 - Ocimum tenuiflorum: 10.1371/JOURNAL.PONE.0207097
1641224 - Osteospermum rigidum: 10.1016/0031-9422(88)80681-2
224906 - Otoba parvifolia: 10.1016/0031-9422(95)00368-H
2126662 - Parasenecio petasitoides: 10.1016/J.TETLET.2011.09.063
48386 - Perilla Frutescens: -
488003 - Persicaria minor: 10.3390/MOLECULES191119220
1155347 - Persicaria mitis: 10.3390/MOLECULES191119220
308680 - Picea koraiensis: 10.1007/BF00579987
77912 - Pinus densiflora: 10.1007/BF00574326
130377 - Piper aduncum:
247689 - Piper lolot: 10.1021/JF071963L
538341 - Piper rusbyi: 10.1055/S-2007-967123
405319 - Piper sarmentosum: 10.1021/JF071963L
33090 - Plants: -
28511 - Pogostemon Cablin (Blanco) Benth.: -
90468 - Polemannia montana: 10.1016/S0031-9422(00)84743-3
1707457 - Roldana aschenborniana: 10.1016/0031-9422(89)80199-2
35974 - Santalum Album L\uff0e: -
92927 - Sarcandra glabra: 10.1016/0031-9422(96)00352-4
457732 - Schistostephium crataegifolium: 10.1016/0031-9422(83)80100-9
155267 - Sideritis tragoriganum: 10.1016/S0031-9422(00)80325-8
41657 - Ursinia nana: 10.1016/0031-9422(82)80131-3
54477 - Vitex agnus-castus: 10.1055/S-2006-957433
1056470 - Zanthoxylum fagara: 10.1055/S-2005-864184
94328 - Zingiber Officinale Roscoe: -

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

Phan Van Kiem, Nguyen Thi Kim Thuy, Hoang Le Tuan Anh, Nguyen Xuan Nhiem, Chau Van Minh, Pham Hai Yen, Ninh Khac Ban, Dan Thuy Hang, Bui Huu Tai, Nguyen Van Tuyen, Vivek Bhakta Mathema, Young-Sang Koh, Young Ho Kim. Chemical constituents of the rhizomes of Hedychium coronarium and their inhibitory effect on the pro-inflammatory cytokines production LPS-stimulated in bone marrow-derived dendritic cells. Bioorganic & medicinal chemistry letters. 2011 Dec; 21(24):7460-5. doi: 10.1016/j.bmcl.2011.09.129. [PMID: 22071304]
H J Bouwmeester, F W Verstappen, M A Posthumus, M Dicke. Spider mite-induced (3S)-(E)-nerolidol synthase activity in cucumber and lima bean. The first dedicated step in acyclic C11-homoterpene biosynthesis. Plant physiology. 1999 Sep; 121(1):173-80. doi: 10.1104/pp.121.1.173. [PMID: 10482672]