Np mrd loader

Record Information
Version1.0
Created at2023-01-12 04:14:51 UTC
Updated at2024-05-13 01:16:27 UTC
NP-MRD IDNP0331436
Secondary Accession NumbersNone
Natural Product Identification
Common NameNoonindole F
Description It was first documented in 2023 (PMID: 37078450). Based on a literature review a significant number of articles have been published on (1S,2R,5S,7R,11S,12S,14R)-11,12-dihydroxy-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁶,²⁴.0¹⁷,²²]Tetracosa-9,16(24),17,19,21-pentaen-8-one (PMID: 37078444) (PMID: 37078443) (PMID: 37078154) (PMID: 37078114) (PMID: 37079959) (PMID: 37079958).
Structure
Thumb
SynonymsNot Available
Chemical FormulaC27H33NO5
Average Mass451.5630 Da
Monoisotopic Mass451.23587 Da
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILES
[H][C@]12CC3=C(NC4=CC=CC=C34)[C@]1(C)[C@@]1(C)CC[C@]3([H])O[C@@]([H])(C(=O)C=C3[C@]1(O)[C@@H](O)C2)C(C)(C)O
InChI Identifier
InChI=1S/C27H33NO5/c1-24(2,31)23-19(29)13-17-20(33-23)9-10-25(3)26(4)14(12-21(30)27(17,25)32)11-16-15-7-5-6-8-18(15)28-22(16)26/h5-8,13-14,20-21,23,28,30-32H,9-12H2,1-4H3/t14-,20+,21+,23+,25-,26-,27+/m1/s1
InChI KeyCZMFTVWMFOYWRF-RREPUDCCSA-N
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
HSQC NMR[1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)uqskanka@uq.edu.auNot AvailableNot Available2024-05-11View Spectrum
1D NMR13C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)uqskanka@uq.edu.auNot AvailableNot Available2024-05-11View Spectrum
COSY NMR[1H, 1H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)uqskanka@uq.edu.auNot AvailableNot Available2024-05-11View Spectrum
HMBC NMR[1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)uqskanka@uq.edu.auNot AvailableNot Available2024-05-11View Spectrum
1D NMR1H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)uqskanka@uq.edu.auNot AvailableNot Available2024-05-11View Spectrum
ROESY NMR[1H, 1H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)uqskanka@uq.edu.auNot AvailableNot Available2024-05-11View Spectrum
HSQC NMR[1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)uqskanka@uq.edu.auNot AvailableNot Available2023-01-12View Spectrum
1D NMR[13C, ] NMR Spectrum (2D, 151 MHz, CD3OD, experimental)uqskanka@uq.edu.auNot AvailableNot Available2023-01-12View Spectrum
COSY NMR[1H, 1H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)uqskanka@uq.edu.auNot AvailableNot Available2023-01-12View Spectrum
HMBC NMR[1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)uqskanka@uq.edu.auNot AvailableNot Available2023-01-12View Spectrum
ROESY NMR[1H, 1H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)uqskanka@uq.edu.auNot AvailableNot Available2023-01-12View Spectrum
1D NMR[1H, ] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)uqskanka@uq.edu.auNot AvailableNot Available2023-01-12View Spectrum
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
noonimiae
      Not Available
Chemical Taxonomy
ClassificationNot classified
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound25261862
PDB IDNot Available
ChEBI IDNot Available
Good Scents IDNot Available
References
General References
  1. Russi AE, Shivakumar P, Luo Z, Bezerra J: Plasticity between ILC2 subsets and amphiregulin expression regulate epithelial repair in biliary atresia. Hepatology. 2023 Apr 21. doi: 10.1097/HEP.0000000000000418. [PubMed:37078450 ]
  2. Hlady RA, Robertson KD: Epigenetic memory of environmental exposures as a mediator of liver disease. Hepatology. 2023 Apr 21. doi: 10.1097/HEP.0000000000000414. [PubMed:37078444 ]
  3. Ufere NN: Home is where the liver is?: moving beyond readmissions to time at home as a patient-centered and pragmatic quality measure in cirrhosis care. Hepatology. 2023 Apr 21. doi: 10.1097/HEP.0000000000000415. [PubMed:37078443 ]
  4. Arnon R, Rubinov A: [[PTOSIS AS A SIGN OF A SYSTEMIC DISEASE]]. Harefuah. 2023 Feb;162(2):119-121. [PubMed:37078154 ]
  5. Shemesh N, Olshaker H: [[A MULTICENTER SPANISH STUDY OF ATROPINE 0.01% IN CHILDHOOD MYOPIA PROGRESSION]]. Harefuah. 2023 Feb;162(2):116-118. [PubMed:37078114 ]
  6. Gonzalez Muriel RM, Garcia Rabanal D, Ramos Pascua LR: [Incidental finding in mechanical gonalgia in a patient with a history of breast cancer]. Semergen. 2023 Jul-Aug;49(5):101978. doi: 10.1016/j.semerg.2023.101978. Epub 2023 Apr 18. [PubMed:37079959 ]
  7. Vallina Perez JL, Taule Sanchez M, Miguel Fernandez V, Iglesias Aranda Catalan P: [<>]. Semergen. 2023 Jul-Aug;49(5):101974. doi: 10.1016/j.semerg.2023.101974. Epub 2023 Apr 18. [PubMed:37079958 ]
  8. Samboni-Mendez M, Benavides-Ruiz MM, Piamba-Valencia AM, Sanchez-Duque JA: [Subcutaneous analgesia in elderly palliative home care]. Semergen. 2023 Jul-Aug;49(5):101975. doi: 10.1016/j.semerg.2023.101975. Epub 2023 Apr 18. [PubMed:37079957 ]
  9. K B C, R H, R A, G JJB, J P D, Banjara SK, M A, K PR, B N, M SP: Macronutrient composition of term and preterm human milk of different socio economic groups. Prostaglandins Leukot Essent Fatty Acids. 2023 May;192:102571. doi: 10.1016/j.plefa.2023.102571. Epub 2023 Mar 30. [PubMed:37079956 ]
  10. Jyothi VGSS, Veerabomma H, Tryphena KP, Khatri DK, Singh SB, Madan J: Acute and sub-acute dermal toxicity of meloxicam emulgel: Analysis of biochemical, hematological, histopathological and immunohistochemical expression. Biochem Biophys Res Commun. 2023 Jun 11;660:88-95. doi: 10.1016/j.bbrc.2023.04.001. Epub 2023 Apr 11. [PubMed:37079955 ]
  1. Kankanamge S, Khalil ZG, Bernhardt PV, Capon RJ: Noonindoles A-F: Rare Indole Diterpene Amino Acid Conjugates from a Marine-Derived Fungus, Aspergillus noonimiae CMB-M0339. Mar Drugs. 2022 Nov 7;20(11):698. doi: 10.3390/md20110698. [PubMed:36355021 ]