Np mrd loader

Record Information
Version2.0
Created at2024-09-30 00:45:11 UTC
Updated at2025-06-11 03:35:09 UTC
NP-MRD IDNP0341850
Natural Product DOIhttps://doi.org/10.57994/3338
Secondary Accession NumbersNone
Natural Product Identification
Common NameIntramolecular cyclized alteramide A
Description Based on a literature review very few articles have been published on Intramolecular cyclized alteramide A.
Structure
Thumb
SynonymsNot Available
Chemical FormulaC29H38N2O6
Average Mass510.6310 Da
Monoisotopic Mass510.27299 Da
IUPAC Name(1Z,4Z,17Z)-11-ethyl-2,7,24-trihydroxy-10-methyl-21,26-diazahexacyclo[23.2.1.0^{3,19}.0^{6,16}.0^{8,15}.0^{9,13}]octacosa-1,4,17-triene-20,27,28-trione
Traditional Name(1Z,4Z,17Z)-11-ethyl-2,7,24-trihydroxy-10-methyl-21,26-diazahexacyclo[23.2.1.0^{3,19}.0^{6,16}.0^{8,15}.0^{9,13}]octacosa-1,4,17-triene-20,27,28-trione
CAS Registry NumberNot Available
SMILES
CCC1CC2CC3C4\C=C/C5C(\C=C/C4C(O)C3C2C1C)C(O)=C1C(=O)NC(C(O)CCNC5=O)C1=O
InChI Identifier
InChI=1/C29H38N2O6/c1-3-13-10-14-11-19-15-4-7-18-17(6-5-16(15)25(33)22(19)21(14)12(13)2)26(34)23-27(35)24(31-29(23)37)20(32)8-9-30-28(18)36/h4-7,12-22,24-25,32-34H,3,8-11H2,1-2H3,(H,30,36)(H,31,37)/b6-5-,7-4-,26-23+
InChI KeyFLUFUQRSRQLSGB-ANTMZVCVNA-N
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
NOESY NMR[1H, 1H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)[email protected]Shandong UniversityFu Yan2024-09-30View Spectrum
HSQC NMR[1H, 13C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)[email protected]Shandong UniversityFu Yan2024-09-30View Spectrum
HMBC NMR[1H, 13C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)[email protected]Shandong UniversityFu Yan2024-09-30View Spectrum
1D NMR1H NMR Spectrum (1D, 600 MHz, C2D6OS, experimental)[email protected]Shandong UniversityFu Yan2024-09-30View Spectrum
1D_DEPT NMR13C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)[email protected]Shandong UniversityFu Yan2024-09-30View Spectrum
1D_DEPT NMR13C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)[email protected]Shandong UniversityFu Yan2024-09-30View Spectrum
COSY NMR[1H, 1H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)[email protected]Shandong UniversityFu Yan2024-09-30View Spectrum
1D NMR13C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)[email protected]Shandong UniversityFu Yan2024-09-30View Spectrum
Predicted Spectra
Spectrum TypeDescriptionDepositor IDDepositor OrganizationDepositorDeposition DateView
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
Pseudoalteromonas flavipulchra
      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
logP0.53ChemAxon
pKa (Strongest Acidic)5.62ChemAxon
pKa (Strongest Basic)0.03ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area135.96 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity139.77 m³·mol⁻¹ChemAxon
Polarizability55.38 ųChemAxon
Number of Rings6ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
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