| Record Information |
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| Version | 2.0 |
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| Created at | 2022-04-29 00:03:53 UTC |
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| Updated at | 2022-04-29 00:03:53 UTC |
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| NP-MRD ID | NP0078990 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | Confluentin |
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| Description | Confluentin belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other. Confluentin is found in Albatrellus ovinus and Rhododendron dauricum . Confluentin was first documented in 2012 (PMID: 22667149). Based on a literature review a small amount of articles have been published on confluentin (PMID: 23305465) (PMID: 32369483) (PMID: 31791817) (PMID: 34854776). |
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| Structure | CC(C)=CCC\C(C)=C\CC[C@@]1(C)OC2=CC(C)=CC(O)=C2C=C1 InChI=1S/C22H30O2/c1-16(2)8-6-9-17(3)10-7-12-22(5)13-11-19-20(23)14-18(4)15-21(19)24-22/h8,10-11,13-15,23H,6-7,9,12H2,1-5H3/b17-10+/t22-/m1/s1 |
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| Synonyms | Not Available |
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| Chemical Formula | C22H30O2 |
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| Average Mass | 326.4800 Da |
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| Monoisotopic Mass | 326.22458 Da |
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| IUPAC Name | (2R)-2-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-2,7-dimethyl-2H-chromen-5-ol |
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| Traditional Name | (2R)-2-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-2,7-dimethylchromen-5-ol |
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| CAS Registry Number | Not Available |
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| SMILES | CC(C)=CCC\C(C)=C\CC[C@@]1(C)OC2=CC(C)=CC(O)=C2C=C1 |
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| InChI Identifier | InChI=1S/C22H30O2/c1-16(2)8-6-9-17(3)10-7-12-22(5)13-11-19-20(23)14-18(4)15-21(19)24-22/h8,10-11,13-15,23H,6-7,9,12H2,1-5H3/b17-10+/t22-/m1/s1 |
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| InChI Key | WQOSNKWCIQZRGH-IHSQGBLNSA-N |
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| Experimental Spectra |
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| Not Available | | Predicted Spectra |
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| | Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
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| 1D NMR | 13C NMR Spectrum (1D, 25 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| | Chemical Shift Submissions |
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| Not Available | | Species |
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| Species of Origin | |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other. |
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| Kingdom | Organic compounds |
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| Super Class | Lipids and lipid-like molecules |
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| Class | Prenol lipids |
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| Sub Class | Monoterpenoids |
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| Direct Parent | Bicyclic monoterpenoids |
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| Alternative Parents | |
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| Substituents | - Aromatic monoterpenoid
- Benzopyran
- Bicyclic monoterpenoid
- 1-benzopyran
- Phenol
- Alkyl aryl ether
- 1-hydroxy-2-unsubstituted benzenoid
- 1-hydroxy-4-unsubstituted benzenoid
- Benzenoid
- Oxacycle
- Organoheterocyclic compound
- Ether
- Organooxygen compound
- Hydrocarbon derivative
- Organic oxygen compound
- Aromatic heteropolycyclic compound
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| Molecular Framework | Aromatic heteropolycyclic 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 | - Liu LY, Li ZH, Ding ZH, Dong ZJ, Li GT, Li Y, Liu JK: Meroterpenoid pigments from the basidiomycete Albatrellus ovinus. J Nat Prod. 2013 Jan 25;76(1):79-84. doi: 10.1021/np300751m. Epub 2013 Jan 10. [PubMed:23305465 ]
- Yaqoob A, Li WM, Liu V, Wang C, Mackedenski S, Tackaberry LE, Massicotte HB, Egger KN, Reimer K, Lee CH: Grifolin, neogrifolin and confluentin from the terricolous polypore Albatrellus flettii suppress KRAS expression in human colon cancer cells. PLoS One. 2020 May 5;15(5):e0231948. doi: 10.1371/journal.pone.0231948. eCollection 2020. [PubMed:32369483 ]
- Akiba M, Kinoshita K, Kino Y, Sato JI, Koyama K: Isolation of three new meroterpenoids and seven known compounds from Albatrellus yasudae and their Abeta-aggregation inhibitory activity. Bioorg Med Chem Lett. 2020 Jan 15;30(2):126808. doi: 10.1016/j.bmcl.2019.126808. Epub 2019 Nov 21. [PubMed:31791817 ]
- Liu GS, Zhang ZX, Su GZ, Wang SY, Yang CS, Yu HB, Wang YN, Li Y: Two new diterpenoids from the stems of Rhododendron dauricum as GABAA receptor agonists. J Asian Nat Prod Res. 2022 Jun;24(6):542-549. doi: 10.1080/10286020.2021.2007089. Epub 2021 Dec 2. [PubMed:34854776 ]
- Zhou X, Zhang Y, Liang H, Huang S, Wang C, Ping A: Chemical constituents of Rhododendron lepidotum. Zhongguo Zhong Yao Za Zhi. 2012 Feb;37(4):483-9. [PubMed:22667149 ]
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