NP-MRD: Showing NP-Card for Velbanamine G (NP0354000)

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Record Information

Version

2.0

Created at

2026-04-29 04:04:22 UTC

Updated at

2026-06-18 02:29:45 UTC

NP-MRD ID

NP0354000

Natural Product DOI

https://doi.org/10.57994/8566

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Velbanamine G

Description

Not Available

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 05282301112D          

 28 32  0  0  1  0            999 V2000
    5.9304   -2.5672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7315   -2.3701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6207   -1.6131    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7750   -1.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9750   -1.7227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5889   -2.4707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7860   -3.2718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4760   -3.7586    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2693   -4.5573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8576   -5.1356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6510   -5.9343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4743   -4.7777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3306   -3.6660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9846   -3.0921    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3828   -3.8146    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2077   -3.8310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9562   -4.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8231   -2.8443    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6287   -2.6666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0720   -2.0578    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.4784   -1.4435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0850   -3.7068    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4547   -3.1746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6374   -3.2869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1314   -2.6352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4428   -1.8712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2602   -1.7589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7661   -2.4106    0.0000 C   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  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  7  1  0  0  0  0
  8  9  1  6  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 12  2  0  0  0  0
  8 13  1  0  0  0  0
 14 13  1  0  0  0  0
 14  2  1  0  0  0  0
 14 15  1  6  0  0  0
 15 16  1  1  0  0  0
 15 17  1  0  0  0  0
 14 18  1  0  0  0  0
 18 19  1  6  0  0  0
 18 20  1  0  0  0  0
 20 19  1  6  0  0  0
 20 21  1  0  0  0  0
  3 21  1  0  0  0  0
  7 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 23 28  1  0  0  0  0
  6 28  1  0  0  0  0
M  END


  Mrv2104 05282301112D          

 28 32  0  0  1  0            999 V2000
    5.9304   -2.5672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7315   -2.3701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6207   -1.6131    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7750   -1.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9750   -1.7227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5889   -2.4707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7860   -3.2718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4760   -3.7586    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2693   -4.5573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8576   -5.1356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6510   -5.9343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4743   -4.7777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3306   -3.6660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9846   -3.0921    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3828   -3.8146    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2077   -3.8310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9562   -4.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8231   -2.8443    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6287   -2.6666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0720   -2.0578    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.4784   -1.4435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0850   -3.7068    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4547   -3.1746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6374   -3.2869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1314   -2.6352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4428   -1.8712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2602   -1.7589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7661   -2.4106    0.0000 C   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  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  7  1  0  0  0  0
  8  9  1  6  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 12  2  0  0  0  0
  8 13  1  0  0  0  0
 14 13  1  0  0  0  0
 14  2  1  0  0  0  0
 14 15  1  6  0  0  0
 15 16  1  1  0  0  0
 15 17  1  0  0  0  0
 14 18  1  0  0  0  0
 18 19  1  6  0  0  0
 18 20  1  0  0  0  0
 20 19  1  6  0  0  0
 20 21  1  0  0  0  0
  3 21  1  0  0  0  0
  7 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 23 28  1  0  0  0  0
  6 28  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0354000

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC(=O)[C@H]1C[C@]2([C@H](C)O)[C@H]3O[C@H]3CN(CCC3=C1NC1=CC=CC=C31)C2=O

> <INCHI_IDENTIFIER>
InChI=1S/C21H24N2O5/c1-11(24)21-9-14(19(25)27-2)17-13(12-5-3-4-6-15(12)22-17)7-8-23(20(21)26)10-16-18(21)28-16/h3-6,11,14,16,18,22,24H,7-10H2,1-2H3/t11-,14-,16-,18-,21-/m0/s1

> <INCHI_KEY>
QDAXURLBXZTFOB-IRZFUUSHSA-N

> <FORMULA>
C21H24N2O5

> <MOLECULAR_WEIGHT>
384.432

> <EXACT_MASS>
384.168521881

$$$$

HEADER    PROTEIN                                 28-MAY-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   28-MAY-23         0                                  
HETATM    1  O   UNK     0      11.070  -4.792   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      12.566  -4.424   0.000  0.00  0.00           C+0
HETATM    3  N   UNK     0      12.359  -3.011   0.000  0.00  0.00           N+0
HETATM    4  C   UNK     0      10.780  -2.629   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       9.287  -3.216   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       8.566  -4.612   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       8.934  -6.107   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      10.222  -7.016   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       9.836  -8.507   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      10.934  -9.587   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      10.548 -11.077   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       8.352  -8.918   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      11.817  -6.843   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      13.038  -5.772   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      13.781  -7.121   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      15.321  -7.151   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      12.985  -8.439   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      14.603  -5.309   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      16.107  -4.978   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      15.068  -3.841   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      13.960  -2.695   0.000  0.00  0.00           C+0
HETATM   22  N   UNK     0       7.625  -6.919   0.000  0.00  0.00           N+0
HETATM   23  C   UNK     0       6.449  -5.926   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       4.923  -6.135   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       3.979  -4.919   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       4.560  -3.493   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       6.086  -3.283   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       7.030  -4.500   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   14                                                  
CONECT    3    2    4   21                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   28                                                  
CONECT    7    6    8   22                                                  
CONECT    8    7    9   13                                                  
CONECT    9    8   10   12                                                  
CONECT   10    9   11                                                       
CONECT   11   10                                                            
CONECT   12    9                                                            
CONECT   13    8   14                                                       
CONECT   14   13    2   15   18                                             
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15                                                            
CONECT   18   14   19   20                                                  
CONECT   19   18   20                                                       
CONECT   20   18   19   21                                                  
CONECT   21   20    3                                                       
CONECT   22    7   23                                                       
CONECT   23   22   24   28                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   23    6                                                  
MASTER        0    0    0    0    0    0    0    0   28    0   64    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₁H₂₄N₂O₅

Average Mass

384.4320 Da

Monoisotopic Mass

384.16852 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

COC(=O)[C@H]1C[C@]2([C@H](C)O)[C@H]3O[C@H]3CN(CCC3=C1NC1=CC=CC=C31)C2=O

InChI Identifier

InChI=1S/C21H24N2O5/c1-11(24)21-9-14(19(25)27-2)17-13(12-5-3-4-6-15(12)22-17)7-8-23(20(21)26)10-16-18(21)28-16/h3-6,11,14,16,18,22,24H,7-10H2,1-2H3/t11-,14-,16-,18-,21-/m0/s1

InChI Key

QDAXURLBXZTFOB-IRZFUUSHSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
NOESY NMR	[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)	[email protected]	Yulin Normal University	Feng Qin	2026-04-29	View Spectrum
HSQC NMR	[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)	[email protected]	Yulin Normal University	Feng Qin	2026-04-29	View Spectrum
HMBC NMR	[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)	[email protected]	Yulin Normal University	Feng Qin	2026-04-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)	[email protected]	Yulin Normal University	Feng Qin	2026-04-29	View Spectrum
COSY NMR	[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)	[email protected]	Yulin Normal University	Feng Qin	2026-04-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, CDCl3, experimental)	[email protected]	Yulin Normal University	Feng Qin	2026-04-29	View Spectrum

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Catharanthus Catharanthus roseus (L.) G. Don		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 Velbanamine G (NP0354000)

MOL for NP0354000 (Velbanamine G)

3D MOL for NP0354000 (Velbanamine G)

3D SDF for NP0354000 (Velbanamine G)

3D-SDF for NP0354000 (Velbanamine G)

PDB for NP0354000 (Velbanamine G)

3D PDB for NP0354000 (Velbanamine G)

SMILES for NP0354000 (Velbanamine G)

INCHI for NP0354000 (Velbanamine G)

Structure for NP0354000 (Velbanamine G)

3D Structure for NP0354000 (Velbanamine G)