Isobebeerin (BioDeep_00000000943)

PANOMIX_OTCML-2023

代谢物信息卡片

(11R,26R)-5,20-dimethoxy-10,25-dimethyl-2,17-dioxa-10,25-diazaheptacyclo[26.2.2.213,16.13,7.118,22.011,36.026,33]hexatriaconta-1(31),3(36),4,6,13,15,18(33),19,21,28(32),29,34-dodecaene-4,19-diol

化学式: C36H38N2O6 (594.2729727999999)
中文名称:
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 3.08%

分子结构信息

SMILES: CN1CCC2=CC(=C(C3=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=CC=C(O3)C=C7)N(CCC6=CC(=C5O)OC)C)O)OC
InChI: InChI=1S/C36H38N2O6/c1-37-15-13-23-19-29(41-3)33(39)35-31(23)27(37)17-21-5-9-26(10-6-21)44-36-32-24(20-30(42-4)34(36)40)14-16-38(2)28(32)18-22-7-11-25(43-35)12-8-22/h5-12,19-20,27-28,39-40H,13-18H2,1-4H3/t27-,28-/m1/s1

描述信息

Isochondrodendrine is a member of isoquinolines and a bisbenzylisoquinoline alkaloid.
Isochondrodendrine is a natural product found in Cissampelos pareira, Stephania elegans, and other organisms with data available.

同义名列表

25 个代谢物同义名

(11R,26R)-5,20-dimethoxy-10,25-dimethyl-2,17-dioxa-10,25-diazaheptacyclo[26.2.2.213,16.13,7.118,22.011,36.026,33]hexatriaconta-1(31),3(36),4,6,13,15,18(33),19,21,28(32),29,34-dodecaene-4,19-diol; 8,11:20,23-DIETHENO-1H,12H-(1,10)DIOXACYCLOOCTADECINO(2,3,4-IJ:11,12,13-IJ)DIISOQUINOLINE-6,18-DIOL, 2,3,12A,13,14,15,24,24A-OCTAHYDRO-5,17-DIMETHOXY-1,13-DIMETHYL-, (12AR,24AR)-; (12AR,24AR)-2,3,12A,13,14,15,24,24A-OCTAHYDRO-5,17-DIMETHOXY-1,13-DIMETHYL-8,11:20,23-DIETHENO-1H,12H-(1,10)DIOXACYCLOOCTADECINO(2,3,4-IJ:11,12,13-IJ)DIISOQUINOLINE-6,18-DIOL; Cycleanine, O(sup 7),O(sup 7)-didemethyl-; O(sup 7),O(sup 7)-Didemethylcycleanine; Cycleanine, O7,O7-didemethyl-; O7,O7-Didemethylcycleanine; Cycleanine,O7-didemethyl-; ISOCHONDRODENDRINE, (+)-; (R,R)-ISOCHONDRODENDRINE; ISOCHONDRODENDRINE [MI]; (R,R)-Isochondodendrine; CHONDODENDRINE (D-ISO); (+)-ISOCHONDRODENDRINE; d-Isochondrodendrine; d-Isochondodendrine; Isochondrodendrine; Isochondodendrine; Isochondrodendrin; Isochondodendrin; UNII-RZ4K59A9CN; Isobebeerine; Isobebeerin; RZ4K59A9CN; (-)-Isobebeerine

数据库引用编号

15 个数据库交叉引用编号

ChEBI: CHEBI:5996
KEGG: C09543
PubChem: 197726
PubChem: 626851
Metlin: METLIN67791
ChEMBL: CHEMBL1169628
ChemIDplus: 0000477623
CAS: 477-62-3
medchemexpress: HY-N5017
PMhub: MS000020812
MetaboLights: MTBLC5996
PubChem: 11734
KNApSAcK: C00001870
3DMET: B03065
NIKKAJI: J37.073H

分类词条

异喹啉生物碱

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)

19 个相关的物种来源信息

461568 - Chondrodendron tomentosum: 10.1039/JR9400000737
461568 - Chondrodendron tomentosum: 10.1039/JR9480001945
108409 - Cissampelos pareira:
461576 - Curarea candicans: 10.1039/JR9540000159
461579 - Curarea tecunarum: 10.1039/JR9540000159
461580 - Curarea toxicofera: 10.1016/S0031-9422(00)88152-2
152373 - Cyclea barbata: 10.1002/ARDP.19773100204
152373 - Cyclea barbata: 10.1021/NP50101A020
152374 - Cyclea hypoglauca:
2893873 - Cyclea peltata: 10.1002/ARDP.19773100204
2893873 - Cyclea peltata: 10.1021/NP50101A020
152375 - Cyclea polypetala:
714462 - Cyclea racemosa:
493321 - Isolona ghesquierei: 10.1055/S-2000-8610
216145 - Stephania delavayi: 10.1021/NP50018A006
152364 - Stephania elegans: 10.1021/NP50018A006
1501461 - Stephania epigaea: 10.1021/NP50018A006
152366 - Stephania hernandifolia: 10.1021/NP50018A006
295132 - Trepobates: 10.1021/NP50018A006

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

Kirandeep Kaur, Meenakshi Jain, Tarandeep Kaur, Rahul Jain. Antimalarials from nature. Bioorganic & medicinal chemistry. 2009 May; 17(9):3229-56. doi: 10.1016/j.bmc.2009.02.050. [PMID: 19299148]