Record Information |
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Version | 1.0 |
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Created at | 2022-09-10 20:48:05 UTC |
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Updated at | 2022-09-10 20:48:06 UTC |
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NP-MRD ID | NP0305191 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | [(3s,9s,15s,18s,21s,24s,27s)-9-[(2s)-butan-2-yl]-11,14,17,20,23,26-hexahydroxy-21-[(4-hydroxyphenyl)methyl]-24-methyl-15-(2-methylpropyl)-2,8-dioxo-1,7,10,13,16,19,22,25-octaazatricyclo[25.3.0.0³,⁷]triaconta-10,13,16,19,22,25-hexaen-18-yl]acetic acid |
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Description | Stelladelin B belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. It was first documented in 2022 (PMID: 36116066). Based on a literature review a significant number of articles have been published on Stelladelin B (PMID: 36115988) (PMID: 36115982) (PMID: 36115973) (PMID: 36115970). |
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Structure | CC[C@H](C)[C@@H]1N=C(O)CN=C(O)[C@H](CC(C)C)N=C(O)[C@H](CC(O)=O)N=C(O)[C@H](CC2=CC=C(O)C=C2)N=C(O)[C@H](C)N=C(O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C1=O InChI=1S/C40H58N8O11/c1-6-22(4)33-40(59)48-16-8-10-30(48)39(58)47-15-7-9-29(47)38(57)42-23(5)34(53)43-27(18-24-11-13-25(49)14-12-24)36(55)45-28(19-32(51)52)37(56)44-26(17-21(2)3)35(54)41-20-31(50)46-33/h11-14,21-23,26-30,33,49H,6-10,15-20H2,1-5H3,(H,41,54)(H,42,57)(H,43,53)(H,44,56)(H,45,55)(H,46,50)(H,51,52)/t22-,23-,26-,27-,28-,29-,30-,33-/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C40H58N8O11 |
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Average Mass | 826.9490 Da |
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Monoisotopic Mass | 826.42250 Da |
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IUPAC Name | Not Available |
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Traditional Name | Not Available |
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CAS Registry Number | Not Available |
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SMILES | CC[C@H](C)[C@@H]1N=C(O)CN=C(O)[C@H](CC(C)C)N=C(O)[C@H](CC(O)=O)N=C(O)[C@H](CC2=CC=C(O)C=C2)N=C(O)[C@H](C)N=C(O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C1=O |
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InChI Identifier | InChI=1S/C40H58N8O11/c1-6-22(4)33-40(59)48-16-8-10-30(48)39(58)47-15-7-9-29(47)38(57)42-23(5)34(53)43-27(18-24-11-13-25(49)14-12-24)36(55)45-28(19-32(51)52)37(56)44-26(17-21(2)3)35(54)41-20-31(50)46-33/h11-14,21-23,26-30,33,49H,6-10,15-20H2,1-5H3,(H,41,54)(H,42,57)(H,43,53)(H,44,56)(H,45,55)(H,46,50)(H,51,52)/t22-,23-,26-,27-,28-,29-,30-,33-/m0/s1 |
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InChI Key | UXORGXOKZBMGRJ-AJKMXTJBSA-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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Description | Belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. |
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Kingdom | Organic compounds |
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Super Class | Organic acids and derivatives |
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Class | Carboxylic acids and derivatives |
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Sub Class | Amino acids, peptides, and analogues |
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Direct Parent | Oligopeptides |
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Alternative Parents | |
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Substituents | - Alpha-oligopeptide
- Cyclic alpha peptide
- Macrolactam
- Alpha-amino acid or derivatives
- 1-hydroxy-2-unsubstituted benzenoid
- Phenol
- Monocyclic benzene moiety
- Benzenoid
- Pyrrolidine
- Tertiary carboxylic acid amide
- Secondary carboxylic acid amide
- Lactam
- Carboxamide group
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Azacycle
- Organoheterocyclic compound
- Organic nitrogen compound
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen compound
- Organic oxide
- Organopnictogen compound
- Carbonyl group
- 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 H, Shu F, Xu H, Ji C, Wang Y, Lou X, Luo P, Xiao S, Xia Z, Lv K: Ablative fractional carbon dioxide laser improves quality of life in patients with extensive burn scars: A nested case-control study. Lasers Surg Med. 2022 Sep 18. doi: 10.1002/lsm.23603. [PubMed:36116066 ]
- Gao M, Wang J, Jiang L, Pan X, Canavese F, Li Y, Wang W, Zhou Z, Zhu W: Magnetic resonance imaging R2* sequences can better detect microstructural cartilage changes than T2 mapping in cynomolgus monkeys with limited knee kinematics: preliminary imaging findings. BMC Musculoskelet Disord. 2022 Sep 17;23(1):870. doi: 10.1186/s12891-022-05817-5. [PubMed:36115988 ]
- Gholami A, Dabbaghmanesh MH, Ghasemi Y, Koohpeyma F, Talezadeh P, Montazeri-Najafabady N: The ameliorative role of specific probiotic combinations on bone loss in the ovariectomized rat model. BMC Complement Med Ther. 2022 Sep 17;22(1):241. doi: 10.1186/s12906-022-03713-y. [PubMed:36115982 ]
- Hardie P, Murray A, Jarvis S, Redmond C: Experienced based co design: nursing preceptorship educational programme. Res Involv Engagem. 2022 Sep 17;8(1):53. doi: 10.1186/s40900-022-00385-3. [PubMed:36115973 ]
- Dong Q, Ou W, Wang M, Jiang T, Weng Y, Zhou X, Tang X: Study on influencing factors of anthracycline-induced subclinical cardiotoxicity in DLBCL patients administered (R)-CHOP. BMC Cancer. 2022 Sep 17;22(1):988. doi: 10.1186/s12885-022-10085-6. [PubMed:36115970 ]
- LOTUS database [Link]
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