Record Information |
---|
Version | 1.0 |
---|
Created at | 2021-06-22 17:27:16 UTC |
---|
Updated at | 2021-06-22 17:27:16 UTC |
---|
NP-MRD ID | NP0043880 |
---|
Secondary Accession Numbers | None |
---|
Natural Product Identification |
---|
Common Name | Ganocalidophin B |
---|
Description | Ganocalidophin B belongs to the class of organic compounds known as ergosterols and derivatives. These are steroids containing ergosta-5,7,22-trien-3beta-ol or a derivative thereof, which is based on the 3beta-hydroxylated ergostane skeleton. Ganocalidophin B is found in Ganoderma sinense. It was first documented in 2021 (PMID: 34610622). Based on a literature review a significant number of articles have been published on Ganocalidophin B (PMID: 34610608) (PMID: 34610582) (PMID: 34610539) (PMID: 34610502) (PMID: 34610485) (PMID: 34610426). |
---|
Structure | C[C@H](CC[C@H](C)C(C)(C)O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C InChI=1S/C28H46O4/c1-17(7-8-18(2)25(3,4)31)20-11-14-28(32)22-16-24(30)23-15-19(29)9-12-26(23,5)21(22)10-13-27(20,28)6/h16-21,23,29,31-32H,7-15H2,1-6H3/t17-,18+,19+,20-,21+,23-,26-,27-,28-/m1/s1 |
---|
Synonyms | Not Available |
---|
Chemical Formula | C28H46O4 |
---|
Average Mass | 446.6720 Da |
---|
Monoisotopic Mass | 446.33961 Da |
---|
IUPAC Name | (1R,2R,5S,7S,11S,14R,15R)-5,11-dihydroxy-14-[(2R,5S)-6-hydroxy-5,6-dimethylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-9-en-8-one |
---|
Traditional Name | (1R,2R,5S,7S,11S,14R,15R)-5,11-dihydroxy-14-[(2R,5S)-6-hydroxy-5,6-dimethylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-9-en-8-one |
---|
CAS Registry Number | Not Available |
---|
SMILES | C[C@H](CC[C@H](C)C(C)(C)O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |
---|
InChI Identifier | InChI=1S/C28H46O4/c1-17(7-8-18(2)25(3,4)31)20-11-14-28(32)22-16-24(30)23-15-19(29)9-12-26(23,5)21(22)10-13-27(20,28)6/h16-21,23,29,31-32H,7-15H2,1-6H3/t17-,18+,19+,20-,21+,23-,26-,27-,28-/m1/s1 |
---|
InChI Key | SHEXVLKGCVJHHF-ACCABTHSSA-N |
---|
Experimental Spectra |
---|
|
| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
---|
1D NMR | 13C NMR Spectrum (1D, 150 MHz, Methanol-d4, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, Methanol-d4, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, Methanol-d4, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 250 MHz, Methanol-d4, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 175 MHz, Methanol-d4, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, Methanol-d4, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 100 MHz, Methanol-d4, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 225 MHz, Methanol-d4, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 200 MHz, Methanol-d4, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 125 MHz, Methanol-d4, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 25 MHz, Methanol-d4, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, Methanol-d4, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, Methanol-d4, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, Methanol-d4, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, Methanol-d4, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, Methanol-d4, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, Methanol-d4, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, Methanol-d4, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, Methanol-d4, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, Methanol-d4, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| Predicted Spectra |
---|
|
| Not Available | Chemical Shift Submissions |
---|
|
| Not Available | Species |
---|
Species of Origin | Species Name | Source | Reference |
---|
Ganoderma sinense | Linigton's dataset | - Ren-Qiang Mei, Feng-Jiao Zuo, Xiao-Yan Duan, Yi-Na Wang, Jun-Rong Li, Cheng-Zhen Qian, Ji-Ping Xi...
|
|
---|
Chemical Taxonomy |
---|
Description | Belongs to the class of organic compounds known as ergosterols and derivatives. These are steroids containing ergosta-5,7,22-trien-3beta-ol or a derivative thereof, which is based on the 3beta-hydroxylated ergostane skeleton. |
---|
Kingdom | Organic compounds |
---|
Super Class | Lipids and lipid-like molecules |
---|
Class | Steroids and steroid derivatives |
---|
Sub Class | Ergostane steroids |
---|
Direct Parent | Ergosterols and derivatives |
---|
Alternative Parents | |
---|
Substituents | - Ergosterol-skeleton
- Ecdysteroid
- 25-hydroxysteroid
- 6-oxosteroid
- 3-beta-hydroxysteroid
- Oxosteroid
- Hydroxysteroid
- 14-hydroxysteroid
- 3-hydroxysteroid
- 3-hydroxy-delta-7-steroid
- Delta-7-steroid
- Cyclohexenone
- Tertiary alcohol
- Cyclic alcohol
- Secondary alcohol
- Ketone
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Alcohol
- Aliphatic homopolycyclic compound
|
---|
Molecular Framework | Aliphatic homopolycyclic compounds |
---|
External Descriptors | Not Available |
---|
Physical Properties |
---|
State | Not Available |
---|
Experimental Properties | Property | Value | Reference |
---|
Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
|
---|
Predicted Properties | |
---|
General References | - Zellweger C, Berger N, Wieler J, Cioni D, Neri E, Boss A, Frauenfelder T, Marcon M: Breast Computed Tomography: Diagnostic Performance of the Maximum Intensity Projection Reformations as a Stand-Alone Method for the Detection and Characterization of Breast Findings. Invest Radiol. 2021 Oct 4. pii: 00004424-900000000-98663. doi: 10.1097/RLI.0000000000000829. [PubMed:34610622 ]
- Yoshida G, Ushirozako H, Imagama S, Kobayashi K, Ando K, Ando M, Kawabata S, Yamada K, Kanchiku T, Fujiwara Y, Taniguchi S, Iwasaki H, Shigematsu H, Takatani T, Tadokoro N, Takahashi M, Wada K, Yamamoto N, Funaba M, Yasuda A, Hashimoto J, Morito S, Tani T, Matsuyama Y: Transcranial Motor-evoked Potential Alert after Supine-to-Prone Position Change during Thoracic Ossification in Posterior Longitudinal Ligament Surgery: A Prospective Multicenter Study of the Monitoring Committee of the Japanese Society for Spine Surgery and Related Research. Spine (Phila Pa 1976). 2021 Oct 4. pii: 00007632-900000000-93541. doi: 10.1097/BRS.0000000000004246. [PubMed:34610608 ]
- Wu Z, Guan Q, Han X, Liu X, Li L, Qiu L, Qian Z, Zhou S, Wang X, Zhang H: A novel prognostic signature based on immune-related genes of diffuse large B-cell lymphoma. Aging (Albany NY). 2021 Oct 5;13(undefined). pii: 203587. doi: 10.18632/aging.203587. [PubMed:34610582 ]
- Gotipamul PP, Vattikondala G, Rajan KD, Khanna S, Rathinam M, Chidambaram S: Impact of piezoelectric effect on the heterogeneous visible photocatalysis of g-C3N4/Ag/ZnO tricomponent. Chemosphere. 2021 Sep 21;287(Pt 4):132298. doi: 10.1016/j.chemosphere.2021.132298. [PubMed:34610539 ]
- Steck AJ: Anti-MAG neuropathy: From biology to clinical management. J Neuroimmunol. 2021 Sep 28;361:577725. doi: 10.1016/j.jneuroim.2021.577725. [PubMed:34610502 ]
- Nieto-Calvache AJ, Palacios-Jaraquemada JM, Aryananda RA, Rodriguez F, Ordonez CA, Bryon AM, Calvache JPB, Lopez J, Campos CI, Mejia M, Rengifo M, Galliadi LMV, Maya J, Zambrano MA, Aguayo IP, Carabali IG, Burgos JM: How can we identify patients who require aortic vascular control in placenta accreta spectrum disorders? Am J Obstet Gynecol MFM. 2021 Oct 2:100498. doi: 10.1016/j.ajogmf.2021.100498. [PubMed:34610485 ]
- Lu J, Cheng M, Zhao C, Shao Q, Hassan M: Combined oxidization and liquid ammonia pretreatment of bamboo of various ages and species for maximizing fermentable sugar release. Bioresour Technol. 2021 Oct 2;343:126085. doi: 10.1016/j.biortech.2021.126085. [PubMed:34610426 ]
- Bertanza G, Boiocchi R, Pedrazzani R: Improving the quality of wastewater treatment plant monitoring by adopting proper sampling strategies and data processing criteria. Sci Total Environ. 2021 Oct 2;806(Pt 3):150724. doi: 10.1016/j.scitotenv.2021.150724. [PubMed:34610402 ]
- Boshier FAT, Venturini C, Stirrup O, Guerra-Assuncao JA, Alcolea-Medina A, Becket AH, Byott M, Charalampous T, Filipe ADS, Frampton D, Glaysher S, Khan T, Kulasegara-Shylini R, Kele B, Monahan IM, Mollett G, Parker M, Pelosi E, Randell P, Roy S, Taylor JF, Weller SJ, Wilson-Davies E, Wade P, Williams R, Copas AJ, Cutino-Moguel T, Freemantle N, Hayward AC, Holmes A, Hughes J, Mahungu TW, Nebbia G, Nastouli E, Partridge DG, Pope CF, Price JR, Robson SC, Saeed K, Shin GY, de Silva TI, Snell LB, Thomson EC, Witney AA, Breuer J: The Alpha variant was not associated with excess nosocomial SARS-CoV-2 infection in a multi-centre UK hospital study. J Infect. 2021 Oct 2. pii: S0163-4453(21)00493-X. doi: 10.1016/j.jinf.2021.09.022. [PubMed:34610391 ]
- Kemppainen M, Pardo A: Nucleus-directed fluorescent reporter system for promoter studies in the ectomycorrhizal fungus Laccaria bicolor. J Microbiol Methods. 2021 Oct 2:106341. doi: 10.1016/j.mimet.2021.106341. [PubMed:34610385 ]
- Ren-Qiang Mei, Feng-Jiao Zuo, Xiao-Yan Duan, Yi-Na Wang, Jun-Rong Li, Cheng-Zhen Qian, Ji-Ping Xiao (2019). Ren-Qiang Mei, Feng-Jiao Zuo, Xiao-Yan Duan, Yi-Na Wang, Jun-Rong Li, Cheng-Zhen Qian, Ji-Ping Xiao. Ergosterols from Ganoderma sinense and their anti-inflammatory activities by inhibiting NO production. Phytochemistry Letters Volume 32, August 2019, Pages 177-180 DOI: 10.1016/j.phytol.2019.06.006. Phytochemistry Letters.
|
---|