Record Information |
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Version | 1.0 |
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Created at | 2021-06-22 17:27:18 UTC |
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Updated at | 2021-06-22 17:27:18 UTC |
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NP-MRD ID | NP0043881 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Ganocalidophin C |
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Description | Ganocalidophin C 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 C is found in Ganoderma sinense. It was first documented in 2021 (PMID: 34610647). Based on a literature review a significant number of articles have been published on Ganocalidophin C (PMID: 34610613) (PMID: 34610603) (PMID: 34610591) (PMID: 34610567). |
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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 |
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Synonyms | Not Available |
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Chemical Formula | C28H46O4 |
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Average Mass | 446.6720 Da |
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Monoisotopic Mass | 446.33961 Da |
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IUPAC Name | (1R,2R,5R,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 |
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Traditional Name | (1R,2R,5R,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 |
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CAS Registry Number | Not Available |
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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 |
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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 |
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InChI Key | SHEXVLKGCVJHHF-QKFQDGOVSA-N |
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Experimental Spectra |
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| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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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 |
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| Not Available | Chemical Shift Submissions |
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| Not Available | Species |
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Species of Origin | Species Name | Source | Reference |
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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...
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Chemical Taxonomy |
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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. |
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Kingdom | Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class | Steroids and steroid derivatives |
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Sub Class | Ergostane steroids |
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Direct Parent | Ergosterols and derivatives |
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Alternative Parents | |
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Substituents | - Ergosterol-skeleton
- Ecdysteroid
- 25-hydroxysteroid
- 6-oxosteroid
- 3-alpha-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
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Molecular Framework | Aliphatic homopolycyclic compounds |
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External Descriptors | Not Available |
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Physical Properties |
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State | Not Available |
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Experimental Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Predicted Properties | |
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General References | - Verwaaijen EJ, Ma J, de Groot-Kruseman HA, Pieters R, van der Sluis IM, van Atteveld JE, Halton J, Fernandez CV, Hartman A, de Jonge R, Lequin MH, Te Winkel ML, Alos N, Atkinson SA, Barr R, Grant RM, Hay J, Huber AM, Ho J, Jaremko J, Koujok K, Lang B, Matzinger MA, Shenouda N, Rauch F, Rodd C, van den Heuvel-Eibrink MM, Pluijm SMF, Ward LM: A Validated Risk Prediction Model for Bone Fragility in Children With Acute Lymphoblastic Leukemia. J Bone Miner Res. 2021 Oct 5. doi: 10.1002/jbmr.4442. [PubMed:34610647 ]
- Mackey C, Hanstein R, Lo Y, Vaughan M, St Hilaire T, Luhmann SJ, Vitale MG, Glotzbecker MP, Samdani A, Parent S, Gomez JA: Magnetically Controlled Growing Rods (MCGR) Versus Single Posterior Spinal Fusion (PSF) Versus Vertebral Body Tether (VBT) in Older Early Onset Scoliosis (EOS) Patients: How Do Early Outcomes Compare? Spine (Phila Pa 1976). 2021 Oct 1. pii: 00007632-900000000-93546. doi: 10.1097/BRS.0000000000004245. [PubMed:34610613 ]
- Draeger DL, Groh S, Buchholz T, Woehl M, Nolting J, Hakenberg OW: Prediction of Treatment Response and Survival with Chemotherapy for Metastatic Penile Cancer by the Modified Glasgow Prognostic Score. Urol Int. 2021 Oct 5:1-7. doi: 10.1159/000519358. [PubMed:34610603 ]
- Buchanan CE, Ljiljana Puskar L, Garvey CJ, Mechler A: C-amidation of substituted beta(3)oligoamides yields novel supramolecular assembly motif. Nanotechnology. 2021 Oct 5. doi: 10.1088/1361-6528/ac2d0c. [PubMed:34610591 ]
- Peng H, Wu X, Wen Y, Lin J: Plasma circulating vitamin C levels and risk of multiple sclerosis: a two-sample Mendelian randomization analysis. Mult Scler Relat Disord. 2021 Sep 22;56:103267. doi: 10.1016/j.msard.2021.103267. [PubMed:34610567 ]
- 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.
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