Calotropin (BioDeep_00000015120)

PANOMIX_OTCML-2023 natural product

代谢物信息卡片

Pecilocerin A

化学式: C29H40O9 (532.2672)
中文名称:
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 72.22%

分子结构信息

SMILES: C1[C@@]2([H])O[C@@]3(O)[C@@H](O)C[C@@H](C)O[C@@]3([H])O[C@]2([H])C[C@]2([H])CC[C@@]3([H])[C@]4(CC[C@H](C5=CC(=O)OC5)[C@@]4(C)CC[C@]3([H])[C@@]12C=O)O
InChI: InChI=1S/C29H40O9/c1-15-9-23(31)29(34)25(36-15)37-21-11-17-3-4-20-19(27(17,14-30)12-22(21)38-29)5-7-26(2)18(6-8-28(20,26)33)16-10-24(32)35-13-16/h10,14-15,17-23,25,31,33-34H,3-9,11-13H2,1-2H3/t15-,17+,18-,19+,20-,21-,22-,23+,25+,26-,27-,28+,29+/m1/s1

描述信息

D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides

同义名列表

3 个代谢物同义名

Calotropin; Pecilocerin A; Calotropin

数据库引用编号

15 个数据库交叉引用编号

ChEBI: CHEBI:3329
KEGG: C08855
PubChem: 16142
Metlin: METLIN3590
ChEMBL: CHEMBL495949
LipidMAPS: LMST01120046
CAS: 1986-70-5
PMhub: MS000052992
PubChem: 11048
KNApSAcK: C00003609
3DMET: B02464
NIKKAJI: J7.843C
KNApSAcK: 3329
LOTUS: LTS0057277
LOTUS: LTS0245598

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)

87 个相关的物种来源信息

4056 - Apocynaceae: LTS0057277
4056 - Apocynaceae: LTS0245598
36601 - Aria: LTS0057277
6656 - Arthropoda: LTS0057277
6656 - Arthropoda: LTS0245598
21199 - Asclepias: 10.1016/0031-9422(94)85029-1
21199 - Asclepias: 10.1248/CPB.42.1777
21199 - Asclepias: LTS0057277
21199 - Asclepias: LTS0245598
528280 - Asclepias cordifolia: 10.1016/0031-9422(82)85202-3
528280 - Asclepias cordifolia: LTS0057277
52823 - Asclepias curassavica:
52823 - Asclepias curassavica: 10.1016/0031-9422(82)85202-3
52823 - Asclepias curassavica: 10.1016/0031-9422(83)85022-5
52823 - Asclepias curassavica: 10.1016/0031-9422(91)85104-8
52823 - Asclepias curassavica: 10.1016/J.BMCL.2009.02.045
52823 - Asclepias curassavica: 10.1021/NP0501740
52823 - Asclepias curassavica: 10.1248/CPB.39.2709
52823 - Asclepias curassavica: 10.1248/CPB.56.1159
52823 - Asclepias curassavica: LTS0057277
52823 - Asclepias curassavica: LTS0245598
397859 - Asclepias linaria: 10.1016/0031-9422(91)83440-V
397859 - Asclepias linaria: LTS0057277
528300 - Asclepias subulata: 10.1016/S0031-9422(00)84515-X
528300 - Asclepias subulata: LTS0057277
528300 - Asclepias subulata: LTS0245598
660014 - Asclepias vestita: 10.1016/0031-9422(82)85202-3
660014 - Asclepias vestita: 10.1039/P19890001563
660014 - Asclepias vestita: LTS0057277
660014 - Asclepias vestita: LTS0245598
660015 - Asclepias vestita subsp. parishii: 10.1016/0031-9422(82)85202-3
660015 - Asclepias vestita subsp. parishii: LTS0057277
660016 - Asclepias vestita subsp. vestita: 10.1016/0031-9422(82)85202-3
660016 - Asclepias vestita subsp. vestita: LTS0057277
4065 - Calotropis: LTS0057277
4065 - Calotropis: LTS0245598
4066 - Calotropis gigantea:
4066 - Calotropis gigantea: 10.1021/NP060249F
4066 - Calotropis gigantea: 10.1248/CPB.46.528
4066 - Calotropis gigantea: LTS0057277
4066 - Calotropis gigantea: LTS0245598
141467 - Calotropis procera: 10.1016/0031-9422(82)85202-3
141467 - Calotropis procera: 10.1021/JF00117A012
141467 - Calotropis procera: LTS0057277
141467 - Calotropis procera: LTS0245598
13036 - Danaus: LTS0057277
13036 - Danaus: LTS0245598
76228 - Danaus genutia: 10.1039/P19880001851
13037 - Danaus plexippus: 10.1039/P19880001851
13037 - Danaus plexippus: LTS0057277
13037 - Danaus plexippus: LTS0245598
2759 - Eukaryota: LTS0057277
2759 - Eukaryota: LTS0245598
126757 - Gomphocarpus: LTS0057277
126757 - Gomphocarpus: LTS0245598
219240 - Gomphocarpus fruticosus: LTS0245598
528307 - Gomphocarpus fruticosus subsp. fruticosus: 10.1016/0031-9422(94)85029-1
528307 - Gomphocarpus fruticosus subsp. fruticosus: 10.1248/CPB.42.1777
528307 - Gomphocarpus fruticosus subsp. fruticosus: LTS0245598
2291033 - Gomphocarpus sinaicus:
2291033 - Gomphocarpus sinaicus: 10.1016/0031-9422(91)80037-2
2291033 - Gomphocarpus sinaicus: 10.1016/0031-9422(94)00600-X
2291033 - Gomphocarpus sinaicus: 10.1016/0031-9422(95)00940-X
2291033 - Gomphocarpus sinaicus: LTS0057277
2291033 - Gomphocarpus sinaicus: LTS0245598
50557 - Insecta: LTS0057277
50557 - Insecta: LTS0245598
4136 - Lamiaceae: LTS0057277
4136 - Lamiaceae: LTS0245598
3398 - Magnoliopsida: LTS0057277
3398 - Magnoliopsida: LTS0245598
33208 - Metazoa: LTS0057277
33208 - Metazoa: LTS0245598
33415 - Nymphalidae: LTS0057277
33415 - Nymphalidae: LTS0245598
3745 - Rosaceae: LTS0057277
35493 - Streptophyta: LTS0057277
35493 - Streptophyta: LTS0245598
49990 - Thymus: LTS0057277
49990 - Thymus: LTS0245598
49992 - Thymus vulgaris: 10.1016/S0021-9673(00)00231-4
49992 - Thymus vulgaris: LTS0057277
49992 - Thymus vulgaris: LTS0245598
58023 - Tracheophyta: LTS0057277
58023 - Tracheophyta: LTS0245598
33090 - Viridiplantae: LTS0057277
33090 - Viridiplantae: LTS0245598

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

文献列表

Alana Shunnarah, Robin Tumlinson, Angela I Calderón. Natural Products with Potential for Nonhormonal Male Contraception. Journal of natural products. 2021 10; 84(10):2762-2774. doi: 10.1021/acs.jnatprod.1c00565. [PMID: 34633803]
Nuha Sweidan, Ezaldeen Esawi, Mohammad Ismail, Walhan Alshaer. Anticancer Cardenolides from the aerial parts of Calortopis procera. Zeitschrift fur Naturforschung. C, Journal of biosciences. 2021 May; 76(5-6):243-250. doi: 10.1515/znc-2020-0281. [PMID: 33770827]
Mai T T Nguyen, Khang D H Nguyen, Phu H Dang, Hai X Nguyen, Suresh Awale, Nhan T Nguyen. Calosides A-F, Cardenolides from Calotropis gigantea and Their Cytotoxic Activity. Journal of natural products. 2020 02; 83(2):385-391. doi: 10.1021/acs.jnatprod.9b00875. [PMID: 31967821]
Yulin Ren, Esperanza J Carcache de Blanco, James R Fuchs, Djaja D Soejarto, Joanna E Burdette, Steven M Swanson, A Douglas Kinghorn. Potential Anticancer Agents Characterized from Selected Tropical Plants. Journal of natural products. 2019 03; 82(3):657-679. doi: 10.1021/acs.jnatprod.9b00018. [PMID: 30830783]
Dietrich Mebs, Cora Wunder, Stefan W Toennes. Poor sequestration of toxic host plant cardenolides and their rapid loss in the milkweed butterfly Danaus chrysippus (Lepidoptera: Nymphalidae: Danainae: Danaini). Toxicon : official journal of the International Society on Toxinology. 2017 Jun; 131(?):1-5. doi: 10.1016/j.toxicon.2017.03.006. [PMID: 28284846]
En-Pan Mo, Rong-Rong Zhang, Jun Xu, Huan Zhang, Xiao-Xiong Wang, Qiu-Tong Tan, Fang-Lan Liu, Ren-Wang Jiang, Shao-Hui Cai. Calotropin from Asclepias curasavica induces cell cycle arrest and apoptosis in cisplatin-resistant lung cancer cells. Biochemical and biophysical research communications. 2016 09; 478(2):710-5. doi: 10.1016/j.bbrc.2016.08.011. [PMID: 27498029]
S R M Ibrahim, G A Mohamed, L A Shaala, L Moreno, Y Banuls, R Kiss, D T A Youssef. Proceraside A, a new cardiac glycoside from the root barks of Calotropis procera with in vitro anticancer effects. Natural product research. 2014; 28(17):1322-7. doi: 10.1080/14786419.2014.901323. [PMID: 24678783]
Jun-Zhu Li, Chen Qing, Chang-Xiang Chen, Xiao-Jiang Hao, Hai-Yang Liu. Cytotoxicity of cardenolides and cardenolide glycosides from Asclepias curassavica. Bioorganic & medicinal chemistry letters. 2009 Apr; 19(7):1956-9. doi: 10.1016/j.bmcl.2009.02.045. [PMID: 19251412]
Thitima Lhinhatrakool, Somyote Sutthivaiyakit. 19-Nor- and 18,20-epoxy-cardenolides from the leaves of Calotropis gigantea. Journal of natural products. 2006 Aug; 69(8):1249-51. doi: 10.1021/np060249f. [PMID: 16933890]
Michael C Roy, Fang-Rong Chang, Hsiao-Chu Huang, Michael Y-N Chiang, Yang-Chang Wu. Cytotoxic principles from the formosan milkweed, Asclepias curassavica. Journal of natural products. 2005 Oct; 68(10):1494-9. doi: 10.1021/np0501740. [PMID: 16252914]
S M KUPCHAN, J R KNOX, J E KELSEY, J A SAENZRENAULD. CALOTROPIN, A CYTOTOXIC PRINCIPLE ISOLATED FROM ASCLEPIAS CURASSAVICA L. Science (New York, N.Y.). 1964 Dec; 146(3652):1685-6. doi: 10.1126/science.146.3652.1685. [PMID: 14224519]