| Record Information |
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| Version | 2.0 |
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| Created at | 2022-09-12 04:30:28 UTC |
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| Updated at | 2022-09-12 04:30:28 UTC |
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| NP-MRD ID | NP0324433 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | (1s,11s,12s,22s)-15,22-dihydroxy-4-methyl-9-oxa-4,13-diazahexacyclo[9.8.3.2¹⁰,¹³.0¹,¹².0⁶,²².0¹⁴,¹⁹]tetracosa-6,10(24),14,16,18-pentaene-20,23-dione |
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| Description | (1S,11S,12S,22S)-15,22-dihydroxy-4-methyl-9-oxa-4,13-diazahexacyclo[9.8.3.2¹⁰,¹³.0¹,¹².0⁶,²².0¹⁴,¹⁹]Tetracosa-6,10(24),14(19),15,17-pentaene-20,23-dione belongs to the class of organic compounds known as carbazoles. Carbazoles are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring. (1s,11s,12s,22s)-15,22-dihydroxy-4-methyl-9-oxa-4,13-diazahexacyclo[9.8.3.2¹⁰,¹³.0¹,¹².0⁶,²².0¹⁴,¹⁹]tetracosa-6,10(24),14,16,18-pentaene-20,23-dione is found in Strychnos icaja. Based on a literature review very few articles have been published on (1S,11S,12S,22S)-15,22-dihydroxy-4-methyl-9-oxa-4,13-diazahexacyclo[9.8.3.2¹⁰,¹³.0¹,¹².0⁶,²².0¹⁴,¹⁹]Tetracosa-6,10(24),14(19),15,17-pentaene-20,23-dione. |
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| Structure | CN1CC[C@]23[C@@H]4[C@@H]5C(OCC=C(C1)[C@]5(O)CC2=O)=CC(=O)N4C1=C(O)C=CC=C31 InChI=1S/C22H22N2O5/c1-23-7-6-21-13-3-2-4-14(25)19(13)24-17(27)9-15-18(20(21)24)22(28,10-16(21)26)12(11-23)5-8-29-15/h2-5,9,18,20,25,28H,6-8,10-11H2,1H3/t18-,20-,21+,22+/m0/s1 |
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| Synonyms | Not Available |
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| Chemical Formula | C22H22N2O5 |
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| Average Mass | 394.4270 Da |
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| Monoisotopic Mass | 394.15287 Da |
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| IUPAC Name | (1S,11S,12S,22S)-15,22-dihydroxy-4-methyl-9-oxa-4,13-diazahexacyclo[9.8.3.2^{10,13}.0^{1,12}.0^{6,22}.0^{14,19}]tetracosa-6,10(24),14,16,18-pentaene-20,23-dione |
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| Traditional Name | (1S,11S,12S,22S)-15,22-dihydroxy-4-methyl-9-oxa-4,13-diazahexacyclo[9.8.3.2^{10,13}.0^{1,12}.0^{6,22}.0^{14,19}]tetracosa-6,10(24),14,16,18-pentaene-20,23-dione |
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| CAS Registry Number | Not Available |
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| SMILES | CN1CC[C@]23[C@@H]4[C@@H]5C(OCC=C(C1)[C@]5(O)CC2=O)=CC(=O)N4C1=C(O)C=CC=C31 |
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| InChI Identifier | InChI=1S/C22H22N2O5/c1-23-7-6-21-13-3-2-4-14(25)19(13)24-17(27)9-15-18(20(21)24)22(28,10-16(21)26)12(11-23)5-8-29-15/h2-5,9,18,20,25,28H,6-8,10-11H2,1H3/t18-,20-,21+,22+/m0/s1 |
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| InChI Key | NDIBCEQFECLLFG-VXSCBNMQSA-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 carbazoles. Carbazoles are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Indoles and derivatives |
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| Sub Class | Carbazoles |
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| Direct Parent | Carbazoles |
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| Alternative Parents | |
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| Substituents | - Carbazole
- 1-hydroxy-4-unsubstituted benzenoid
- 1-hydroxy-2-unsubstituted benzenoid
- Aralkylamine
- Benzenoid
- Cyclic alcohol
- Tertiary alcohol
- Vinylogous ester
- Tertiary carboxylic acid amide
- Amino acid or derivatives
- Carboxamide group
- Ketone
- Lactam
- Tertiary aliphatic amine
- Tertiary amine
- Carboxylic acid derivative
- Oxacycle
- Azacycle
- Amine
- Hydrocarbon derivative
- Organic oxide
- Alcohol
- Organopnictogen compound
- Carbonyl group
- Organic oxygen compound
- Organonitrogen compound
- Organooxygen 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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