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Showing NP-Card for Plakoramine A (NP0331471)

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Record Information
Version2.0
Created at2023-01-18 20:00:30 UTC
Updated at2025-02-11 15:46:23 UTC
NP-MRD IDNP0331471
Natural Product DOIhttps://doi.org/10.57994/0422
Secondary Accession NumbersNone
Natural Product Identification
Common NamePlakoramine A
DescriptionPlakoramine A belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. Plakoramine A was first documented in 2022 (PMID: 36516994). Based on a literature review very few articles have been published on Plakoramine A.
Structure
Thumb
MOLSDFPDBSMILESInChI

MOL for NP0331471 (Plakoramine A)

Not Available

3D MOL for NP0331471 (Plakoramine A)

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3D SDF for NP0331471 (Plakoramine A)

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3D-SDF for NP0331471 (Plakoramine A)

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PDB for NP0331471 (Plakoramine A)

Not Available

3D PDB for NP0331471 (Plakoramine A)

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SMILES for NP0331471 (Plakoramine A)

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INCHI for NP0331471 (Plakoramine A)

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View in JSmol
SynonymsNot Available
Chemical FormulaC38H31N8O3
Average Mass647.7180 Da
Monoisotopic Mass647.25136 Da
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILESNot Available
InChI Identifier
InChI=1S/C38H30N8O3/c1-45(2)34-25-21(47)13-15-39-29(25)31-27-23(17-9-5-7-11-19(17)41-31)35(43-32(27)34)38-28-24(37(49)44-38)18-10-6-8-12-20(18)42-33(28)30-26(36(38)46(3)4)22(48)14-16-40-30/h5-12H,13-16H2,1-4H3,(H2,39,41,43,44,47,49)/p+1
InChI KeyQPMIITAZCAGSEQ-UHFFFAOYSA-O
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
ROESY NMR[1H, 1H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)quan.khong@nih.govNot AvailableNot Available2024-05-11View Spectrum
HMBC NMR[1H, 13C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)quan.khong@nih.govNot AvailableNot Available2024-05-11View Spectrum
HSQC NMR[1H, 13C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)quan.khong@nih.govNot AvailableNot Available2024-05-11View Spectrum
HMBC NMR[1H, 13C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)quan.khong@nih.govNot AvailableNot Available2024-05-11View Spectrum
HMBC NMR[1H, 15N] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)quan.khong@nih.govNot AvailableNot Available2024-05-11View Spectrum
COSY NMR[1H, 1H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)quan.khong@nih.govNot AvailableNot Available2024-05-11View Spectrum
1D NMR1H NMR Spectrum (1D, 600 MHz, C2D6OS, experimental)quan.khong@nih.govNot AvailableNot Available2024-05-11View Spectrum
1D NMR13C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)quan.khong@nih.govNot AvailableNot Available2024-05-11View Spectrum
Predicted Spectra
Not Available
Chemical Shift Submissions
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
1D NMR1H NMR Spectrum (1D, 600.31, C2D6OS, simulated)Not AvailableNot AvailableNot Available2024-05-11View Spectrum
Species
Species of Origin
Species NameSourceReference
Moorena sp.
      Not Available
Chemical Taxonomy
DescriptionThis compound belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassPrenol lipids
Sub ClassDiterpenoids
Direct ParentDiterpenoids
Alternative Parents
Substituents
  • Diterpenoid
  • 1,10-phenanthroline
  • Benzoquinoline
  • Acridine
  • Quinoline-4-carboxamide
  • Quinolone
  • Tetrahydroquinolone
  • Aminoquinoline
  • Quinoline
  • Tetrahydroquinoline
  • Pyrrolopyridine
  • Pyridine carboxylic acid or derivatives
  • Dihydroindole
  • Indole or derivatives
  • Polyhalopyridine
  • Dialkylarylamine
  • Aryl alkyl ketone
  • Aryl ketone
  • Tertiary aliphatic/aromatic amine
  • 2-halopyridine
  • Methylpyridine
  • Tetrahydropyridine
  • Secondary aliphatic/aromatic amine
  • Piperidinone
  • Fatty acyl
  • Alpha-branched alpha,beta-unsaturated-ketone
  • Benzenoid
  • 2-pyrrolidone
  • Pyrrolidone
  • Pyridine
  • Piperidine
  • N-acyl-amine
  • Fatty amide
  • Heteroaromatic compound
  • Vinylogous amide
  • Alpha,beta-unsaturated ketone
  • Secondary ketimine
  • Pyrrolidine
  • Pyrrole
  • Enone
  • Acryloyl-group
  • Tertiary aliphatic amine
  • Tertiary amine
  • Lactam
  • Ketone
  • Ketimine
  • Carboxamide group
  • Amino acid or derivatives
  • Azacycle
  • Organoheterocyclic compound
  • Secondary amine
  • Enamine
  • Secondary aliphatic amine
  • Carboxylic acid derivative
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organopnictogen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organonitrogen compound
  • Imine
  • Amine
  • Organic cation
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted PropertiesNot Available
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 CompoundNot Available
PDB IDNot Available
ChEBI IDNot Available
Good Scents IDNot Available
References
General References
  1. DOI: 10.1021/acs.orglett.2c03922
  2. PMID: 36516994