Inokosterone (BioDeep_00000000561)

PANOMIX_OTCML-2023 natural product

代谢物信息卡片

(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R,6R)-2,3,7-trihydroxy-6-methyl-heptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one

化学式: C27H44O7 (480.3087)
中文名称: (25R)-牛膝甾酮, 25R-牛膝甾酮, 牛膝甾酮
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 81.25%

分子结构信息

SMILES: C1[C@H](O)[C@H](O)C[C@@]2([H])C(=O)C=C3[C@@]([H])([C@]21C)CC[C@]1(C)[C@@]([H])([C@](O)(C)[C@H](O)CC[C@H](CO)C)CC[C@]13O
InChI: InChI=1S/C27H44O7/c1-15(14-28)5-6-23(32)26(4,33)22-8-10-27(34)17-11-19(29)18-12-20(30)21(31)13-24(18,2)16(17)7-9-25(22,27)3/h11,15-16,18,20-23,28,30-34H,5-10,12-14H2,1-4H3/t15-,16+,18+,20-,21+,22+,23-,24-,25-,26-,27-/m1/s1

描述信息

Inokosterone is a 2beta-hydroxy steroid, a 3beta-hydroxy steroid, a 14alpha-hydroxy steroid, a 20-hydroxy steroid, a 26-hydroxy steroid, a 6-oxo steroid, a 22-hydroxy steroid and a phytoecdysteroid.
Inokosterone is a natural product found in Zoanthus, Rhaponticum carthamoides, and other organisms with data available.

同义名列表

14 个代谢物同义名

(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R,6R)-2,3,7-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one; 5-beta-Cholest-7-en-6-one, 2-beta,3-beta,14,20,22,26-hexahydroxy-, (22R,25RS)-; Cholest-7-en-6-one, 2,3,14,20,22,26-hexahydroxy-, (2-beta,3-beta,5-beta,22R)-; (22R,25R)-2beta,3beta,14,20,22,26-hexahydroxy-5beta-cholest-7-en-6-one; (25R)-Inokosterone; 25R-Inokosterone; Inokosterone; ST 27:2;O7; (2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R,6R)-2,3,7-trihydroxy-6-methyl-heptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one; (2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(1R,2R,5R)-1,2,6-trihydroxy-1,5-dimethyl-hexyl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one; (2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(1R,2R,5R)-1,2,6-trihydroxy-1,5-dimethylhexyl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one; 15130-85-5; C08819; Inokosterone

数据库引用编号

18 个数据库交叉引用编号

ChEBI: CHEBI:27495
KEGG: C08819
PubChem: 441828
PubChem: 119238
LipidMAPS: LMST01010194
MeSH: inokosterone
ChemIDplus: 0015130855
CAS: 19682-38-3
CAS: 15130-85-5
medchemexpress: HY-121351
medchemexpress: HY-N4131
PMhub: MS000020219
PubChem: 11012
KNApSAcK: C00003655
3DMET: B02436
NIKKAJI: J39.047J
LOTUS: LTS0097815
KNApSAcK: 27495

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)

36 个相关的物种来源信息

6101 - Anthozoa: LTS0097815
4210 - Asteraceae: LTS0097815
6073 - Cnidaria: LTS0097815
2759 - Eukaryota: LTS0097815
82208 - Gagea: LTS0097815
59080 - Gagea serotina: 10.1016/S0305-1978(01)00021-7
59080 - Gagea serotina: LTS0097815
4677 - Liliaceae: LTS0097815
4447 - Liliopsida: LTS0097815
59079 - Lloydia: LTS0097815
3398 - Magnoliopsida: LTS0097815
33208 - Metazoa: LTS0097815
3275 - Polypodiaceae: LTS0097815
241806 - Polypodiopsida: LTS0097815
38352 - Polypodium: LTS0097815
872808 - Polypodium virginianum:
872808 - Polypodium virginianum: 10.1016/0031-9422(96)00336-6
872808 - Polypodium virginianum: 10.1016/S0031-9422(97)80008-8
872808 - Polypodium virginianum: 10.1016/S0040-4020(01)85247-9
872808 - Polypodium virginianum: LTS0097815
58048 - Polypodium vulgare:
58048 - Polypodium vulgare: 10.1016/0031-9422(96)00336-6
58048 - Polypodium vulgare: 10.1016/S0031-9422(97)80008-8
58048 - Polypodium vulgare: 10.1016/S0040-4020(01)85247-9
58048 - Polypodium vulgare: LTS0097815
362626 - Rhaponticum: LTS0097815
362630 - Rhaponticum carthamoides: 10.1016/J.PHYTOCHEM.2009.04.008
35493 - Streptophyta: LTS0097815
58023 - Tracheophyta: LTS0097815
33090 - Viridiplantae: LTS0097815
86595 - Zoanthidae: LTS0097815
105401 - Zoanthus: 10.1021/NP010645S
105401 - Zoanthus: LTS0097815
33090 - 倒扣草: -
3498 - 桑叶: -
33090 - 牛膝: -

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。

亚细胞结构定位		关联基因列表
Cytoplasm	10	ANXA1, BCL2, CAT, ESR1, PPARG, RUNX2, SMAD1, SOD1, STK11, VIM
Peripheral membrane protein	2	ANXA1, ESR1
Endosome membrane	1	ANXA1
Endoplasmic reticulum membrane	1	BCL2
Nucleus	11	ANXA1, BCL2, ESR1, PDIA3, PPARA, PPARG, PPARGC1A, RUNX2, SMAD1, SOD1, STK11
cytosol	12	ANXA1, APOA1, BCL2, CAT, ESR1, PPARG, PPARGC1A, RUNX2, SMAD1, SOD1, STK11, VIM
dendrite	1	ADORA1
phagocytic vesicle	2	PDIA3, VIM
nucleoplasm	9	ANXA1, ESR1, PPARA, PPARG, PPARGC1A, RUNX2, SMAD1, SOD1, STK11
RNA polymerase II transcription regulator complex	1	PPARG
Cell membrane	5	ADORA1, ANXA1, ESR1, PTPRC, VIM
Cytoplasmic side	1	ESR1
Early endosome membrane	1	ANXA1
Multi-pass membrane protein	1	ADORA1
Synapse	2	ADORA1, PTPRC
cell surface	4	ANXA1, BMP2, PDIA3, PTPRC
Golgi apparatus	1	ESR1
neuronal cell body	2	ADORA1, SOD1
presynaptic membrane	1	ADORA1
sarcolemma	1	ANXA1
endosome	1	ANXA1
plasma membrane	7	ADORA1, ANXA1, APOA1, BMP2, ESR1, PTPRC, VIM
presynaptic active zone	1	ADORA1
terminal bouton	1	ADORA1
Membrane	7	ANXA1, BCL2, CAT, ESR1, PTPRC, SMAD1, STK11
apical plasma membrane	1	ANXA1
axon	1	VIM
basolateral plasma membrane	2	ADORA1, ANXA1
extracellular exosome	10	ANXA1, APOA1, BMP3, CAT, PDIA3, PTPRC, SOD1, SOD2, STK11, VIM
endoplasmic reticulum	2	BCL2, PDIA3
extracellular space	7	ANXA1, APOA1, BMP2, BMP3, IL10, PDIA3, SOD1
perinuclear region of cytoplasm	1	PPARG
adherens junction	1	ANXA1
mitochondrion	5	BCL2, CAT, SOD1, SOD2, STK11
protein-containing complex	6	BCL2, CAT, ESR1, SMAD1, SOD1, STK11
intracellular membrane-bounded organelle	3	BMP2, CAT, PPARG
Single-pass type I membrane protein	1	PTPRC
Secreted	5	ANXA1, APOA1, BMP2, BMP3, IL10
extracellular region	7	ANXA1, APOA1, BMP2, BMP3, CAT, IL10, SOD1
cytoplasmic side of plasma membrane	1	PTPRC
Mitochondrion outer membrane	1	BCL2
Single-pass membrane protein	1	BCL2
mitochondrial outer membrane	1	BCL2
Mitochondrion matrix	1	SOD2
mitochondrial matrix	3	CAT, SOD1, SOD2
Extracellular side	1	ANXA1
transcription regulator complex	3	ESR1, RUNX2, SMAD1
Cell projection, cilium	1	ANXA1
motile cilium	1	ANXA1
Nucleus membrane	1	BCL2
Bcl-2 family protein complex	1	BCL2
nuclear membrane	1	BCL2
external side of plasma membrane	1	PTPRC
Extracellular vesicle	1	APOA1
chylomicron	1	APOA1
high-density lipoprotein particle	1	APOA1
low-density lipoprotein particle	1	APOA1
very-low-density lipoprotein particle	1	APOA1
dendritic spine	1	ADORA1
Z disc	1	STK11
cytoplasmic vesicle	2	APOA1, SOD1
axon cytoplasm	1	SOD1
Early endosome	2	ANXA1, APOA1
vesicle	1	ANXA1
postsynaptic membrane	1	ADORA1
Apical cell membrane	1	ANXA1
Membrane raft	1	PTPRC
pore complex	1	BCL2
Cytoplasm, cytoskeleton	1	VIM
focal adhesion	5	ANXA1, CAT, PDIA3, PTPRC, VIM
axolemma	1	ADORA1
mitochondrial nucleoid	1	SOD2
Peroxisome	3	CAT, SOD1, VIM
Peroxisome matrix	1	CAT
peroxisomal matrix	1	CAT
peroxisomal membrane	1	CAT
Nucleus, PML body	1	PPARGC1A
PML body	1	PPARGC1A
mitochondrial intermembrane space	1	SOD1
collagen-containing extracellular matrix	2	ANXA1, APOA1
intermediate filament	1	VIM
lateral plasma membrane	1	ANXA1
nuclear inner membrane	1	SMAD1
dendrite cytoplasm	1	SOD1
receptor complex	1	PPARG
neuron projection	1	VIM
cilium	1	ANXA1
chromatin	6	ESR1, PPARA, PPARG, PPARGC1A, RUNX2, SMAD1
cell leading edge	1	VIM
Cell projection, phagocytic cup	1	ANXA1
phagocytic cup	1	ANXA1
cytoskeleton	1	VIM
Secreted, extracellular space	1	ANXA1
blood microparticle	1	APOA1
Basolateral cell membrane	1	ANXA1
serine/threonine protein kinase complex	1	STK11
Recycling endosome membrane	1	PDIA3
Cornified envelope	1	ANXA1
microtubule organizing center	1	VIM
Cytoplasmic vesicle membrane	1	ANXA1
Melanosome	1	PDIA3
euchromatin	1	ESR1
myelin sheath	1	BCL2
intermediate filament cytoskeleton	1	VIM
ficolin-1-rich granule lumen	1	CAT
secretory granule lumen	2	APOA1, CAT
secretory granule membrane	1	PTPRC
endoplasmic reticulum lumen	2	APOA1, PDIA3
nuclear matrix	1	VIM
endocytic vesicle	1	APOA1
Secreted, extracellular exosome	1	ANXA1
Nucleus matrix	1	VIM
calyx of Held	1	ADORA1
vesicle membrane	1	ANXA1
[Isoform 2]: Nucleus	1	STK11
[Isoform 1]: Nucleus	2	ESR1, PPARGC1A
heteromeric SMAD protein complex	1	SMAD1
SMAD protein complex	1	SMAD1
Lateral cell membrane	1	ANXA1
MHC class I peptide loading complex	1	PDIA3
Tapasin-ERp57 complex	1	PDIA3
membrane microdomain	1	PTPRC
spherical high-density lipoprotein particle	1	APOA1
bleb	1	PTPRC
endocytic vesicle lumen	1	APOA1
catalase complex	1	CAT
Cytoplasmic vesicle, secretory vesicle lumen	1	ANXA1
asymmetric synapse	1	ADORA1
BAD-BCL-2 complex	1	BCL2
BMP receptor complex	1	BMP2
homomeric SMAD protein complex	1	SMAD1
intracellular protein-containing complex	1	STK11
[Isoform B4]: Nucleus	1	PPARGC1A
[Isoform B4-8a]: Cytoplasm	1	PPARGC1A
[Isoform B5]: Nucleus	1	PPARGC1A
[Isoform 9]: Nucleus	1	PPARGC1A

文献列表

Tong Niu, Jinqian Yu, Zhenqiang Wang, Chuangchuang Wang, Yingjian Guo, Jian Li, Xiao Wang. Purification of triterpenoid saponins and 25R/25S-inokosterone from Achyranthes bidentata Bl. by high-speed countercurrent chromatography coupled silver nitrate coordination. Journal of separation science. 2024 Apr; 47(7):e2300901. doi: 10.1002/jssc.202300901. [PMID: 38605456]
Ji-Hao Mo, Han-Kun Xie, Ye-Mian Zhou, Sihan-Benjamin Ng, Shao-Xia Li, Lei Wang. Inokosterone Is A Potential Drug Target of Estrogen Receptor 1 in Rheumatoid Arthritis Patients: Analysis from Active Ingredient of Cyathula Officinalis. Chinese journal of integrative medicine. 2021 Oct; 27(10):767-773. doi: 10.1007/s11655-021-3492-5. [PMID: 34432202]
Iu S Sidorova, S N Zorin, L S Vasilevskaia, M N Bogachuk, V K Mazo, V V Volodin, S O Volodina. [Effect of intragastrically injection of phytoecdysteroids on some indicators of hormonal status in rats]. Voprosy pitaniia. 2013; 82(4):22-6. doi: . [PMID: 24340928]
Milos Budesínský, Karel Vokác, Juraj Harmatha, Josef Cvacka. Additional minor ecdysteroid components of Leuzea carthamoides. Steroids. 2008 May; 73(5):502-14. doi: 10.1016/j.steroids.2007.12.021. [PMID: 18243263]
Juraj Harmatha, Karel Vokác, Eva Kmonícková, Zdenek Zídek. Lack of interference of common phytoecdysteroids with production of nitric oxide by immune-activated mammalian macrophages. Steroids. 2008 Apr; 73(4):466-71. doi: 10.1016/j.steroids.2007.12.014. [PMID: 18243265]
O G Shevchenko, N G Zagorskaia, A G Kudiasheva, L N Shishkina. [The antiradiation properties of the ecdysteroid-containing compounds]. Radiatsionnaia biologiia, radioecologiia. 2007 Jul; 47(4):501-8. doi: . [PMID: 17953438]
Ting-Ting Zhu, Hong Liang, Yu-Ying Zhao, Ben Wang. [Isolation and structure identification of C-25 epimers of inokosterone from Achyranthes bidentata Blume]. Yao xue xue bao = Acta pharmaceutica Sinica. 2004 Nov; 39(11):913-6. doi: . [PMID: 15696932]