Record Information |
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Version | 2.0 |
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Created at | 2022-09-12 12:29:15 UTC |
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Updated at | 2022-09-12 12:29:15 UTC |
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NP-MRD ID | NP0328735 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (1s,4s,5s,7r,8s,10e,12r,13s,15s,16r,17s)-4,13,19-trihydroxy-5,8,15,17-tetramethyl-14-methylidene-6-oxa-18-azatetracyclo[10.7.0.0¹,¹⁶.0⁵,⁷]nonadeca-10,18-dien-2-one |
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Description | Alachalasin D belongs to the class of organic compounds known as alachalasins. These are cytochalasans with a structure in which the hydrogenated isoindole bears a methyl group. (1s,4s,5s,7r,8s,10e,12r,13s,15s,16r,17s)-4,13,19-trihydroxy-5,8,15,17-tetramethyl-14-methylidene-6-oxa-18-azatetracyclo[10.7.0.0¹,¹⁶.0⁵,⁷]nonadeca-10,18-dien-2-one is found in Schizothecium vesticola. Based on a literature review very few articles have been published on Alachalasin D. |
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Structure | C[C@@H]1N=C(O)[C@]23[C@H]1[C@H](C)C(=C)[C@@H](O)[C@@H]2\C=C\C[C@H](C)[C@H]1O[C@@]1(C)[C@@H](O)CC3=O InChI=1S/C22H31NO5/c1-10-7-6-8-14-18(26)12(3)11(2)17-13(4)23-20(27)22(14,17)16(25)9-15(24)21(5)19(10)28-21/h6,8,10-11,13-15,17-19,24,26H,3,7,9H2,1-2,4-5H3,(H,23,27)/b8-6+/t10-,11+,13-,14-,15-,17-,18+,19+,21-,22+/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C22H31NO5 |
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Average Mass | 389.4920 Da |
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Monoisotopic Mass | 389.22022 Da |
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IUPAC Name | (1S,4S,5S,7R,8S,10E,12R,13S,15S,16R,17S)-4,13,19-trihydroxy-5,8,15,17-tetramethyl-14-methylidene-6-oxa-18-azatetracyclo[10.7.0.0^{1,16}.0^{5,7}]nonadeca-10,18-dien-2-one |
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Traditional Name | (1S,4S,5S,7R,8S,10E,12R,13S,15S,16R,17S)-4,13,19-trihydroxy-5,8,15,17-tetramethyl-14-methylidene-6-oxa-18-azatetracyclo[10.7.0.0^{1,16}.0^{5,7}]nonadeca-10,18-dien-2-one |
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CAS Registry Number | Not Available |
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SMILES | C[C@@H]1N=C(O)[C@]23[C@H]1[C@H](C)C(=C)[C@@H](O)[C@@H]2\C=C\C[C@H](C)[C@H]1O[C@@]1(C)[C@@H](O)CC3=O |
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InChI Identifier | InChI=1S/C22H31NO5/c1-10-7-6-8-14-18(26)12(3)11(2)17-13(4)23-20(27)22(14,17)16(25)9-15(24)21(5)19(10)28-21/h6,8,10-11,13-15,17-19,24,26H,3,7,9H2,1-2,4-5H3,(H,23,27)/b8-6+/t10-,11+,13-,14-,15-,17-,18+,19+,21-,22+/m0/s1 |
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InChI Key | JLIGZLZPWHFDND-WTFXJYTMSA-N |
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Experimental Spectra |
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| Not Available | 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 | |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as alachalasins. These are cytochalasans with a structure in which the hydrogenated isoindole bears a methyl group. |
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Kingdom | Organic compounds |
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Super Class | Alkaloids and derivatives |
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Class | Cytochalasans |
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Sub Class | Alachalasins |
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Direct Parent | Alachalasins |
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Alternative Parents | |
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Substituents | - Carbocyclic alachalasin skeleton
- Isoindolone
- Isoindoline
- Isoindole or derivatives
- 2-pyrrolidone
- Pyrrolidone
- Cyclic alcohol
- Pyrrolidine
- Carboxamide group
- Ketone
- Lactam
- Secondary carboxylic acid amide
- Secondary alcohol
- Carboxylic acid derivative
- Dialkyl ether
- Oxirane
- Ether
- Oxacycle
- Azacycle
- Organoheterocyclic compound
- Organopnictogen compound
- Organic nitrogen compound
- Carbonyl group
- Organic oxide
- Hydrocarbon derivative
- Alcohol
- Organic oxygen compound
- Organonitrogen compound
- Organooxygen compound
- Aliphatic heteropolycyclic compound
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Molecular Framework | Aliphatic 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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