calactin (BioDeep_00000007016)
PANOMIX_OTCML-2023 natural product PANOMIX_OTCML-2025
代谢物信息卡片
化学式: C29H40O9 (532.2672)
中文名称: 卡拉亭
谱图信息:
最多检出来源 Viridiplantae(otcml) 48.45%
Last reviewed on 2025-06-24.
Cite this Page
calactin. BioDeep Database v3. PANOMIX ltd, a top metabolomics service provider from China.
https://query.biodeep.cn/s/calactin (retrieved
2025-12-05) (BioDeep RN: BioDeep_00000007016). Licensed
under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
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
同义名列表
14 个代谢物同义名
calactin; Pecilocerin B; NSC650471; Calactin; (1S,3R,5S,7R,9R,10S,12R,14R,15S,18R,19R,22S,23R)-9,10,22-trihydroxy-7,18-dimethyl-19-(5-oxo-2H-furan-3-yl)-4,6,11-trioxahexacyclo(12.11.0.03,12.05,10.015,23.018,22)pentacosane-14-carbaldehyde; (1S,3R,5S,7R,9R,10S,12R,14R,15S,18R,19R,22S,23R)-9,10,22-trihydroxy-7,18-dimethyl-19-(5-oxo-2H-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosane-14-carbaldehyde; CARD-20(22)-ENOLIDE, 14-HYDROXY-19-OXO-2,3-(((2S,3S,4R,6R)-TETRAHYDRO-3,4-DIHYDROXY-6-METHYL-2H-PYRAN-3,2-DIYL)BIS(OXY))-, (2.ALPHA.,3.BETA.,5.ALPHA.)-; CARD-20(22)-ENOLIDE, 14-HYDROXY-19-OXO-2,3-(((2S,3S,4R,6R)-TETRAHYDRO-3,4-DIHYDROXY-6-METHYL-2H-PYRAN-3,2-DIYL)BIS(OXY))-, (2ALPHA,3BETA,5ALPHA)-; CARD-20(22)-ENOLIDE, 3-((4,6-DIDEOXY-BETA-D-ERYTHRO-HEXOPYRANOS-2-ULOS-1-YL)OXY)-2, 14-DIHYDROXY-19-OXO-, (2ALPHA,3BETA,5ALPHA)-; Card-20(22)-enolide, 3-((4,6-dideoxy-beta-D-erythro-hexopyranos-2-ulos-1-yl)oxy)-2,14-dihydroxy-19-oxo-, (2alpha,3beta,5alpha)-; Card20(22)enolide, 3((4,6dideoxybetaDerythrohexopyranos2ulos1yl)oxy)2,14dihydroxy19oxo, (2alpha,3beta,5alpha); Pekilocerin B; Poekilocerin B; Pokilocerin B
数据库引用编号
16 个数据库交叉引用编号
- ChEBI: CHEBI:3299
- KEGG: C08854
- PubChem: 441849
- PubChem: 30100
- ChEMBL: CHEMBL502127
- LipidMAPS: LMST01120034
- CAS: 20304-47-6
- PMhub: MS000218783
- PMhub: MS000020244
- PubChem: 11047
- KNApSAcK: C00003608
- 3DMET: B02463
- NIKKAJI: J430.830A
- RefMet: Calactin
- KNApSAcK: 3299
- LOTUS: LTS0147801
分类词条
相关代谢途径
Reactome()
BioCyc()
PlantCyc()
代谢反应
个相关的代谢反应过程信息。
Reactome()
BioCyc()
WikiPathways()
Plant Reactome()
INOH()
PlantCyc()
COVID-19 Disease Map()
PathBank()
PharmGKB()
49 个相关的物种来源信息
- 4056 - Apocynaceae: LTS0147801
- 36601 - Aria: LTS0147801
- 2906878 - Aria edulis: 10.1016/0031-9422(88)80035-9
- 6656 - Arthropoda: LTS0147801
- 21199 - Asclepias: 10.1016/0031-9422(94)85029-1
- 21199 - Asclepias: 10.1248/CPB.42.1777
- 21199 - Asclepias: LTS0147801
- 52823 - Asclepias curassavica:
- 52823 - Asclepias curassavica: 10.1021/NP0501740
- 52823 - Asclepias curassavica: 10.1039/P19830002827
- 52823 - Asclepias curassavica: 10.1248/CPB.39.2709
- 52823 - Asclepias curassavica: LTS0147801
- 397859 - Asclepias linaria: 10.1016/0031-9422(91)83440-V
- 397859 - Asclepias linaria: LTS0147801
- 528300 - Asclepias subulata: 10.1016/S0031-9422(00)84515-X
- 528300 - Asclepias subulata: LTS0147801
- 660014 - Asclepias vestita: 10.1039/P19890001563
- 660014 - Asclepias vestita: LTS0147801
- 4065 - Calotropis: LTS0147801
- 4066 - Calotropis gigantea: 10.1021/NP060249F
- 4066 - Calotropis gigantea: LTS0147801
- 141467 - Calotropis procera: 10.1021/JF00117A012
- 141467 - Calotropis procera: LTS0147801
- 13036 - Danaus: LTS0147801
- 76228 - Danaus genutia: 10.1039/P19880001851
- 13037 - Danaus plexippus: 10.1039/P19880001851
- 13037 - Danaus plexippus: LTS0147801
- 2759 - Eukaryota: LTS0147801
- 126757 - Gomphocarpus: LTS0147801
- 219240 - Gomphocarpus fruticosus: 10.1039/P19830002827
- 219240 - Gomphocarpus fruticosus: LTS0147801
- 528307 - Gomphocarpus fruticosus subsp. fruticosus: 10.1016/0031-9422(94)85029-1
- 528307 - Gomphocarpus fruticosus subsp. fruticosus: 10.1039/P19830002827
- 528307 - Gomphocarpus fruticosus subsp. fruticosus: 10.1248/CPB.42.1777
- 528307 - Gomphocarpus fruticosus subsp. fruticosus: LTS0147801
- 50557 - Insecta: LTS0147801
- 3398 - Magnoliopsida: LTS0147801
- 33208 - Metazoa: LTS0147801
- 33415 - Nymphalidae: LTS0147801
- 63482 - Pergularia: LTS0147801
- 264979 - Pergularia tomentosa:
- 264979 - Pergularia tomentosa: 10.1016/0031-9422(88)80035-9
- 264979 - Pergularia tomentosa: 10.1021/NP060228L
- 264979 - Pergularia tomentosa: 10.1021/NP800810F
- 264979 - Pergularia tomentosa: LTS0147801
- 3745 - Rosaceae: LTS0147801
- 35493 - Streptophyta: LTS0147801
- 58023 - Tracheophyta: LTS0147801
- 33090 - Viridiplantae: LTS0147801
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
- Seyed Hamzeh Hosseini, Milena Masullo, Antonietta Cerulli, Stefania Martucciello, Mahdi Ayyari, Cosimo Pizza, Sonia Piacente. Antiproliferative Cardenolides from the Aerial Parts of Pergularia tomentosa.
Journal of natural products.
2019 01; 82(1):74-79. doi:
10.1021/acs.jnatprod.8b00630. [PMID: 30629433] - Chien-Chih Lee, Yi-Hsiung Lin, Wen-Hsin Chang, Yang-Chang Wu, Jan-Gowth Chang. The small molecule calactin induces DNA damage and apoptosis in human leukemia cells.
European journal of cancer prevention : the official journal of the European Cancer Prevention Organisation (ECP).
2012 Sep; 21(5):467-73. doi:
10.1097/cej.0b013e3283498e66. [PMID: 22828439] - Albert A Baskar, Savarimuthu Ignacimuthu, Gabriel M Paulraj, Khalid S Al Numair. Chemopreventive potential of beta-Sitosterol in experimental colon cancer model--an in vitro and In vivo study.
BMC complementary and alternative medicine.
2010 Jun; 10(?):24. doi:
10.1186/1472-6882-10-24. [PMID: 20525330] - N R Rathod, I Raghuveer, H R Chitme, R Chandra. Free Radical Scavenging Activity of Calotropis gigantea on Streptozotocin-Induced Diabetic Rats.
Indian journal of pharmaceutical sciences.
2009 Nov; 71(6):615-21. doi:
10.4103/0250-474x.59542. [PMID: 20376213] - Sonia Piacente, Milena Masullo, Nancy De Nève, Janique Dewelle, Arafa Hamed, Robert Kiss, Tatjana Mijatovic. Cardenolides from Pergularia tomentosa display cytotoxic activity resulting from their potent inhibition of Na+/K+-ATPase.
Journal of natural products.
2009 Jun; 72(6):1087-91. doi:
10.1021/np800810f. [PMID: 19555122] - 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] - Arafa I Hamed, Alberto Plaza, Maria Luisa Balestrieri, Usama A Mahalel, Irina V Springuel, Wieslaw Oleszek, Cosimo Pizza, Sonia Piacente. Cardenolide glycosides from Pergularia tomentosa and their proapoptotic activity in Kaposi's sarcoma cells.
Journal of natural products.
2006 Sep; 69(9):1319-22. doi:
10.1021/np060228l. [PMID: 16989527] - 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 Bhattacharya, S Ghosh, S Chakraborty, A K Bera, B P Mukhopadhayay, I Dey, A Banerjee. Insight to structural subsite recognition in plant thiol protease-inhibitor complexes : understanding the basis of differential inhibition and the role of water.
BMC structural biology.
2001; 1(?):4. doi:
10.1186/1472-6807-1-4. [PMID: 11602025]
