Record Information |
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Version | 1.0 |
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Created at | 2022-09-12 16:40:14 UTC |
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Updated at | 2022-09-12 16:40:14 UTC |
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NP-MRD ID | NP0330885 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (2s,4s)-2,4,9-trihydroxy-6-methoxy-8-methyl-3,4-dihydro-2h-anthracen-1-one |
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Description | It was first documented in 2022 (PMID: 36130709). Based on a literature review a significant number of articles have been published on Alokicenone F (PMID: 36130261) (PMID: 36130592) (PMID: 36130585) (PMID: 36130517) (PMID: 36130480) (PMID: 36130460). |
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Structure | COC1=CC(C)=C2C(O)=C3C(=O)[C@@H](O)C[C@H](O)C3=CC2=C1 InChI=1S/C16H16O5/c1-7-3-9(21-2)4-8-5-10-11(17)6-12(18)15(19)14(10)16(20)13(7)8/h3-5,11-12,17-18,20H,6H2,1-2H3/t11-,12-/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C16H16O5 |
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Average Mass | 288.2990 Da |
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Monoisotopic Mass | 288.09977 Da |
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IUPAC Name | (2S,4S)-2,4,9-trihydroxy-6-methoxy-8-methyl-1,2,3,4-tetrahydroanthracen-1-one |
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Traditional Name | (2S,4S)-2,4,9-trihydroxy-6-methoxy-8-methyl-3,4-dihydro-2H-anthracen-1-one |
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CAS Registry Number | Not Available |
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SMILES | COC1=CC(C)=C2C(O)=C3C(=O)[C@@H](O)C[C@H](O)C3=CC2=C1 |
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InChI Identifier | InChI=1S/C16H16O5/c1-7-3-9(21-2)4-8-5-10-11(17)6-12(18)15(19)14(10)16(20)13(7)8/h3-5,11-12,17-18,20H,6H2,1-2H3/t11-,12-/m0/s1 |
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InChI Key | ZKLWIEJZSZBHCH-RYUDHWBXSA-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, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, H2O, 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 | Not Available |
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Chemical Taxonomy |
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Classification | Not classified |
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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 | - Slowing K, Gomez F, Delgado M, Fernandez de la Rosa R, Hernandez-Martin N, Pozo MA, Garcia-Garcia L: PET Imaging and Neurohistochemistry Reveal that Curcumin Attenuates Brain Hypometabolism and Hippocampal Damage induced by Status Epilepticus in Rats. Planta Med. 2022 Sep 21. doi: 10.1055/a-1948-4378. [PubMed:36130709 ]
- Vranic M, Perochon A, Benbow H, Doohan FM: Comprehensive analysis of pathogen-responsive wheat NAC transcription factors: new candidates for crop improvement. G3 (Bethesda). 2022 Sep 21. pii: 6709347. doi: 10.1093/g3journal/jkac247. [PubMed:36130261 ]
- Ye L, Wang X, McFarland A, Madsen JJ: (19)F NMR: A promising tool for dynamic conformational studies of G protein-coupled receptors. Structure. 2022 Sep 7. pii: S0969-2126(22)00351-3. doi: 10.1016/j.str.2022.08.007. [PubMed:36130592 ]
- Terheyden JH, Finger RP, Wicharz F, Herrmann P, Holz FG, Tufail A, Muller PL: Properties of patient-reported outcome measures in recessive Stargardt disease. Ophthalmologica. 2022 Sep 21. pii: 000527093. doi: 10.1159/000527093. [PubMed:36130585 ]
- Rush SA, Brar G, Hsieh CL, Chautard E, Rainho-Tomko JN, Slade CD, Bricault CA, Kume A, Kearns J, Groppo R, Mundle ST, Zhang L, Casimiro D, Fu TM, DiNapoli JM, McLellan JS: Characterization of prefusion-F-specific antibodies elicited by natural infection with human metapneumovirus. Cell Rep. 2022 Sep 20;40(12):111399. doi: 10.1016/j.celrep.2022.111399. [PubMed:36130517 ]
- Richard G, Blondin DP, Syed SA, Rossi L, Fontes ME, Fortin M, Phoenix S, Frisch F, Dubreuil S, Guerin B, Turcotte EE, Lepage M, Surette MG, Schertzer JD, Steinberg GR, Morrison KM, Carpentier AC: High-fructose feeding suppresses cold-stimulated brown adipose tissue glucose uptake independently of changes in thermogenesis and the gut microbiome. Cell Rep Med. 2022 Sep 20;3(9):100742. doi: 10.1016/j.xcrm.2022.100742. [PubMed:36130480 ]
- Fountain J, Brookes V, Kirkeby C, Manyweathers J, Maru Y, Hernandez-Jover M: One size does not fit all: Exploring the economic and non-economic outcomes of on-farm biosecurity for bovine viral diarrhoea virus in Australian beef production. Prev Vet Med. 2022 Nov;208:105758. doi: 10.1016/j.prevetmed.2022.105758. Epub 2022 Sep 13. [PubMed:36130460 ]
- Chen G, Tang C, Tan J, Zhu Z, Guo S, Zhou J, Peng X: Multi-residue determination of bisphenol analogues in organism tissues by ultra-high performance liquid chromatography-tandem mass spectrometry. J Chromatogr A. 2022 Oct 25;1682:463489. doi: 10.1016/j.chroma.2022.463489. Epub 2022 Sep 7. [PubMed:36130425 ]
- Wang A, Duan S, Hu Y, Ding X, Xu FJ: Fluorination of Polyethylenimines for Augmentation of Antibacterial Potency via Structural Damage and Potential Dissipation of Bacterial Membranes. ACS Appl Mater Interfaces. 2022 Oct 5;14(39):44173-44182. doi: 10.1021/acsami.2c12692. Epub 2022 Sep 21. [PubMed:36130111 ]
- Vidal JM, Fonseca A, Ruiz P, Sepulveda D, Carrasco C, Scilipoti S, Barros J, Valenzuela A, Saavedra R, Ruiz-Tagle N, Urrutia H: Genomic features of Pseudomonas sp. RGM2144 correlates with increased survival of rainbow trout infected by Flavobacterium psychrophilum. J Fish Dis. 2022 Sep 21. doi: 10.1111/jfd.13713. [PubMed:36130050 ]
- LOTUS database [Link]
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