(-)-Chimonanthine (BioDeep_00000000510)

human metabolite PANOMIX_OTCML-2023 Endogenous Volatile Flavor Compounds natural product

代谢物信息卡片

(3aS,8bS)-8b-[(3aS,8bS)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole

化学式: C22H26N4 (346.2157356)
中文名称: (-)-山腊梅碱, 山腊梅碱, 山蜡梅碱, 蠟梅鹼
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 24.62%

分子结构信息

SMILES: CN1CCC2(C1NC1=C2C=CC=C1)C12CCN(C)C1NC1=C2C=CC=C1
InChI: InChI=1S/C22H26N4/c1-25-13-11-21(15-7-3-5-9-17(15)23-19(21)25)22-12-14-26(2)20(22)24-18-10-6-4-8-16(18)22/h3-10,19-20,23-24H,11-14H2,1-2H3

描述信息

(-)-chimonanthine is the (3aS,3aS,8aS,8aS)-stereoisomer of chimonanthine. It is an enantiomer of a (+)-chimonanthine.
(-)-Chimonanthine is a natural product found in Eumachia forsteriana, Chimonanthus praecox, and Idiospermum australiense with data available.
meso-Chimonanthine is found in herbs and spices. meso-Chimonanthine is an alkaloid from Calycanthus floridus (Carolina allspice

同义名列表

16 个代谢物同义名

(3aS,8bS)-8b-[(3aS,8bS)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole; 1-methyl-3a-{1-methyl-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indol-3a-yl}-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indole; 3A,3A(1H,1H)-BIPYRROLO(2,3-B)INDOLE, 2,2,3,3,8,8,8A,8A-OCTAHYDRO-1,1-DIMETHYL-, (3AS,3AS,8AS,8AS)-; (3aS,3aS,8aS,8aS)-1,1-dimethyl-2,2,3,3,8,8,8a,8a-octahydro-1H,1H-3a,3a-bipyrrolo[2,3-b]indole; Calycanthidine, 1-demethyl-; 1-Demethyl-calycanthidine; 1-Demethylcalycanthidine; CHIMONANTHINE [MI]; (-)-Chimonanthine; L-Chimonanthine; UNII-97C4UE479O; Chimonanthine; Chimonanthin; 97C4UE479O; CHEBI:87; (-)-Chimonanthine

数据库引用编号

21 个数据库交叉引用编号

ChEBI: CHEBI:38955
ChEBI: CHEBI:87
KEGG: C09133
PubChem: 3083909
PubChem: 599086
HMDB: HMDB0030280
Metlin: METLIN67455
MeSH: chimonanthine
ChemIDplus: 0005545891
KNApSAcK: C00026840
foodb: FDB002115
chemspider: 520787
CAS: 5545-89-1
medchemexpress: HY-N5118
PMhub: MS000020480
PubChem: 11325
KNApSAcK: C00001708
3DMET: B02708
NIKKAJI: J9.551F
KNApSAcK: 87
LOTUS: LTS0047745

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)

18 个相关的物种来源信息

3427 - Calycanthaceae: LTS0047745
13418 - Chimonanthus: LTS0047745
13419 - Chimonanthus praecox:
13419 - Chimonanthus praecox: 10.1016/J.PHYTOL.2011.04.012
13419 - Chimonanthus praecox: 10.1016/J.TET.2003.11.034
13419 - Chimonanthus praecox: 10.1016/J.TETLET.2006.03.047
13419 - Chimonanthus praecox: LTS0047745
2759 - Eukaryota: LTS0047745
1277318 - Eumachia forsteriana:
1277318 - Eumachia forsteriana: 10.1055/S-2006-962098
1277320 - Eumachia lyciiflora:
9606 - Homo sapiens: -
13573 - Idiospermum australiense: 10.1021/NP50122A007
3398 - Magnoliopsida: LTS0047745
2662166 - Psychotria colorata:
35493 - Streptophyta: LTS0047745
58023 - Tracheophyta: LTS0047745
33090 - Viridiplantae: LTS0047745

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

Ming Ding, Kangjiang Liang, Rui Pan, Hongbin Zhang, Chengfeng Xia. Total Synthesis of (+)-Chimonanthine, (+)-Folicanthine, and (-)-Calycanthine. The Journal of organic chemistry. 2015 Oct; 80(20):10309-16. doi: 10.1021/acs.joc.5b01907. [PMID: 26402317]