| Record Information |
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| Version | 2.0 |
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| Created at | 2020-12-09 01:24:24 UTC |
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| Updated at | 2021-07-15 16:47:32 UTC |
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| NP-MRD ID | NP0003845 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | Deacetylravidomycin M |
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| Provided By | NPAtlas |
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| Description | 12-[(2S,3R,4S,5R,6S)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]-15-hydroxy-3,17-dimethoxy-5-methyl-9-oxatetracyclo[8.8.0.0²,⁷.0¹¹,¹⁶]Octadeca-1(10),2(7),3,5,11,13,15,17-octaen-8-one belongs to the class of organic compounds known as naphthopyrans. Naphthopyrans are compounds containing a pyran ring fused to a naphthalene moiety. Furan is a 6 membered-ring non-aromatic ring with five carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings. Deacetylravidomycin M is found in Streptomyces. Deacetylravidomycin M was first documented in 2001 (PMID: 11560373). Based on a literature review very few articles have been published on 12-[(2S,3R,4S,5R,6S)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]-15-hydroxy-3,17-dimethoxy-5-methyl-9-oxatetracyclo[8.8.0.0²,⁷.0¹¹,¹⁶]Octadeca-1(10),2(7),3,5,11,13,15,17-octaen-8-one. |
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| Structure | [H]OC1=C2C(OC([H])([H])[H])=C([H])C3=C(OC(=O)C4=C([H])C(=C([H])C(OC([H])([H])[H])=C34)C([H])([H])[H])C2=C(C([H])=C1[H])[C@]1([H])O[C@@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@]([H])(N(C([H])([H])[H])C([H])([H])[H])[C@@]1([H])O[H] InChI=1S/C28H31NO8/c1-12-9-16-20(18(10-12)34-5)15-11-19(35-6)22-17(30)8-7-14(21(22)26(15)37-28(16)33)27-25(32)23(29(3)4)24(31)13(2)36-27/h7-11,13,23-25,27,30-32H,1-6H3/t13-,23-,24-,25+,27-/m0/s1 |
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| Synonyms | Not Available |
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| Chemical Formula | C28H31NO8 |
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| Average Mass | 509.5550 Da |
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| Monoisotopic Mass | 509.20497 Da |
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| IUPAC Name | 12-[(2S,3R,4S,5R,6S)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]-15-hydroxy-3,17-dimethoxy-5-methyl-9-oxatetracyclo[8.8.0.0^{2,7}.0^{11,16}]octadeca-1(10),2,4,6,11,13,15,17-octaen-8-one |
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| Traditional Name | 12-[(2S,3R,4S,5R,6S)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]-15-hydroxy-3,17-dimethoxy-5-methyl-9-oxatetracyclo[8.8.0.0^{2,7}.0^{11,16}]octadeca-1(10),2,4,6,11,13,15,17-octaen-8-one |
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| CAS Registry Number | Not Available |
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| SMILES | COC1=CC2=C(OC(=O)C3=CC(C)=CC(OC)=C23)C2=C(C=CC(O)=C12)[C@@H]1O[C@@H](C)[C@H](O)[C@@H]([C@H]1O)N(C)C |
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| InChI Identifier | InChI=1S/C28H31NO8/c1-12-9-16-20(18(10-12)34-5)15-11-19(35-6)22-17(30)8-7-14(21(22)26(15)37-28(16)33)27-25(32)23(29(3)4)24(31)13(2)36-27/h7-11,13,23-25,27,30-32H,1-6H3/t13-,23-,24-,25+,27-/m0/s1 |
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| InChI Key | XMWCTNFIDFLZBU-YIGMCNEPSA-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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| Species Where Detected | |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as naphthopyrans. Naphthopyrans are compounds containing a pyran ring fused to a naphthalene moiety. Furan is a 6 membered-ring non-aromatic ring with five carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Naphthopyrans |
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| Sub Class | Not Available |
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| Direct Parent | Naphthopyrans |
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| Alternative Parents | |
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| Substituents | - Naphthopyran
- Coumarin
- Isocoumarin
- 1-naphthol
- Benzopyran
- Naphthalene
- 2-benzopyran
- 1-benzopyran
- Anisole
- Alkyl aryl ether
- 1-hydroxy-2-unsubstituted benzenoid
- Aralkylamine
- Pyranone
- Benzenoid
- Oxane
- Pyran
- Heteroaromatic compound
- Tertiary aliphatic amine
- Tertiary amine
- Secondary alcohol
- Lactone
- 1,2-aminoalcohol
- Dialkyl ether
- Ether
- Oxacycle
- Organooxygen compound
- Alcohol
- Organic oxide
- Organopnictogen compound
- Organic oxygen compound
- Amine
- Hydrocarbon derivative
- Organonitrogen compound
- Organic nitrogen 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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