NP-MRD: Showing NP-Card for cerasoxoberbine A (NP0352205)

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Record Information

Version

2.0

Created at

2026-02-03 02:56:42 UTC

Updated at

2026-05-03 03:35:17 UTC

NP-MRD ID

NP0352205

Natural Product DOI

https://doi.org/10.57994/5291

Secondary Accession Numbers

None

Natural Product Identification

Common Name

cerasoxoberbine A

Description

Not Available

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 03042300102D          

 25 28  0  0  0  0            999 V2000
    0.8101   -5.3268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0802   -4.5473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5401   -3.9236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8101   -3.1441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2700   -2.5204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5401   -2.6764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8101   -3.4559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6203   -3.6118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2700   -4.0796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5401   -4.8591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -5.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6203   -2.9882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1604   -3.6118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9705   -3.4559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2405   -2.6764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0507   -2.5204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3207   -1.7409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5908   -3.1441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4009   -2.9882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6709   -2.2086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3207   -3.9236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5106   -4.0796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2405   -4.8591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4304   -5.0150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8903   -4.3914    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  3  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  4 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  2  0  0  0  0
 14 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 13 25  1  0  0  0  0
  2 25  1  0  0  0  0
M  END


  Mrv2104 03042300102D          

 25 28  0  0  0  0            999 V2000
    0.8101   -5.3268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0802   -4.5473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5401   -3.9236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8101   -3.1441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2700   -2.5204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5401   -2.6764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8101   -3.4559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6203   -3.6118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2700   -4.0796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5401   -4.8591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -5.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6203   -2.9882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1604   -3.6118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9705   -3.4559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2405   -2.6764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0507   -2.5204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3207   -1.7409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5908   -3.1441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4009   -2.9882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6709   -2.2086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3207   -3.9236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5106   -4.0796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2405   -4.8591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4304   -5.0150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8903   -4.3914    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  3  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  4 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  2  0  0  0  0
 14 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 13 25  1  0  0  0  0
  2 25  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0352205

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=C(O)C=C2C(CCN3C(=O)C4=C(C=CC(O)=C4OC)C=C23)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C19H17NO5/c1-24-16-8-10-5-6-20-13(12(10)9-15(16)22)7-11-3-4-14(21)18(25-2)17(11)19(20)23/h3-4,7-9,21-22H,5-6H2,1-2H3

> <INCHI_KEY>
ZNMUXQONKJGTAZ-UHFFFAOYSA-N

> <FORMULA>
C19H17NO5

> <MOLECULAR_WEIGHT>
339.347

> <EXACT_MASS>
339.110672651

$$$$

HEADER    PROTEIN                                 04-MAR-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-MAR-23         0                                  
HETATM    1  O   UNK     0       1.512  -9.943   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       2.016  -8.488   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.008  -7.324   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.512  -5.869   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.504  -4.705   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.008  -4.996   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -1.512  -6.451   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      -3.024  -6.742   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      -0.504  -7.615   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      -1.008  -9.070   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       0.000 -10.234   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       3.024  -5.578   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.033  -6.742   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       5.545  -6.451   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       6.049  -4.996   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       7.561  -4.705   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       8.065  -3.250   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       8.569  -5.869   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      10.082  -5.578   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      10.586  -4.123   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       8.065  -7.324   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       6.553  -7.615   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       6.049  -9.070   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       4.537  -9.361   0.000  0.00  0.00           C+0
HETATM   25  N   UNK     0       3.529  -8.197   0.000  0.00  0.00           N+0
CONECT    1    2                                                            
CONECT    2    1    3   25                                                  
CONECT    3    2    4    9                                                  
CONECT    4    3    5   12                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7    3   10                                                  
CONECT   10    9   11                                                       
CONECT   11   10                                                            
CONECT   12    4   13                                                       
CONECT   13   12   14   25                                                  
CONECT   14   13   15   22                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19   21                                                  
CONECT   19   18   20                                                       
CONECT   20   19                                                            
CONECT   21   18   22                                                       
CONECT   22   21   14   23                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   13    2                                                  
MASTER        0    0    0    0    0    0    0    0   25    0   56    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₉H₁₇NO₅

Average Mass

339.3470 Da

Monoisotopic Mass

339.11067 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

COC1=C(O)C=C2C(CCN3C(=O)C4=C(C=CC(O)=C4OC)C=C23)=C1

InChI Identifier

InChI=1S/C19H17NO5/c1-24-16-8-10-5-6-20-13(12(10)9-15(16)22)7-11-3-4-14(21)18(25-2)17(11)19(20)23/h3-4,7-9,21-22H,5-6H2,1-2H3

InChI Key

ZNMUXQONKJGTAZ-UHFFFAOYSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
HSQC NMR	[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CD3OD, experimental)	[email protected]	Hainan University	Feifei Liu	2026-02-03	View Spectrum
HMBC NMR	[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CD3OD, experimental)	[email protected]	Hainan University	Feifei Liu	2026-02-03	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, CD3OD, experimental)	[email protected]	Hainan University	Feifei Liu	2026-02-03	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, CD3OD, experimental)	[email protected]	Hainan University	Feifei Liu	2026-02-03	View Spectrum

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Polyalthia Polyalthia cerasoides		Not Available

Chemical Taxonomy

Classification

Not classified

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source

External Links

Not Available

References

General References

Showing NP-Card for cerasoxoberbine A (NP0352205)

MOL for NP0352205 (cerasoxoberbine A)

3D MOL for NP0352205 (cerasoxoberbine A)

3D SDF for NP0352205 (cerasoxoberbine A)

3D-SDF for NP0352205 (cerasoxoberbine A)

PDB for NP0352205 (cerasoxoberbine A)

3D PDB for NP0352205 (cerasoxoberbine A)

SMILES for NP0352205 (cerasoxoberbine A)

INCHI for NP0352205 (cerasoxoberbine A)

Structure for NP0352205 (cerasoxoberbine A)

3D Structure for NP0352205 (cerasoxoberbine A)