NP-MRD: Showing NP-Card for 7-Hydroxy-11-isopropyl-6-methoxy-16,17-dimethyl-8,9,10,11-tetrahydrobenzophenanthridine-2,5-dione (NP0352744)

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Record Information

Version

2.0

Created at

2026-02-15 06:01:04 UTC

Updated at

2026-02-15 08:01:41 UTC

NP-MRD ID

NP0352744

Natural Product DOI

https://doi.org/10.57994/7033

Secondary Accession Numbers

None

Natural Product Identification

Common Name

7-Hydroxy-11-isopropyl-6-methoxy-16,17-dimethyl-8,9,10,11-tetrahydrobenzophenanthridine-2,5-dione

Description

7-Hydroxy-11-isopropyl-6-methoxy-16,17-dimethyl-8,9,10,11-tetrahydrobenzophenanthridine-2,5-dione was first documented in 2020 (PMID: 32786884).

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 03162303142D          

 28 31  0  0  1  0            999 V2000
    2.3347    2.9071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0647    2.1275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6048    1.5039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4149    1.6598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6850    2.4393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9550    1.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6850    0.2566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2251   -0.3671    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0352   -0.2111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3052    0.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7651    1.1921    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0352    1.9716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9550   -1.1466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4951   -1.7702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1449   -1.3025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8748    0.1007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3347    0.7243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5246    0.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2546   -0.2111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7946   -0.8348    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6048   -0.6789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4444   -0.3671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1744   -1.1466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0957    0.2566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9058    0.1007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1744    1.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9845    1.1921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2546    1.9716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 10  1  0  0  0  0
 11  6  1  0  0  0  0
 11 12  1  1  0  0  0
  8 13  1  6  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
  7 16  1  0  0  0  0
 16 17  2  0  0  0  0
  3 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 16 21  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 26 27  1  0  0  0  0
 18 27  1  0  0  0  0
 27 28  2  0  0  0  0
M  END


  Mrv2104 03162303142D          

 28 31  0  0  1  0            999 V2000
    2.3347    2.9071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0647    2.1275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6048    1.5039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4149    1.6598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6850    2.4393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9550    1.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6850    0.2566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2251   -0.3671    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0352   -0.2111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3052    0.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7651    1.1921    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0352    1.9716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9550   -1.1466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4951   -1.7702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1449   -1.3025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8748    0.1007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3347    0.7243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5246    0.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2546   -0.2111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7946   -0.8348    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6048   -0.6789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4444   -0.3671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1744   -1.1466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0957    0.2566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9058    0.1007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1744    1.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9845    1.1921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2546    1.9716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 10  1  0  0  0  0
 11  6  1  0  0  0  0
 11 12  1  1  0  0  0
  8 13  1  6  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
  7 16  1  0  0  0  0
 16 17  2  0  0  0  0
  3 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 16 21  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 26 27  1  0  0  0  0
 18 27  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0352744

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=C(O)C2=C([C@H](CC[C@@H]2C)C(C)C)C2=C1C1=C(N=C2)C(=O)C(C)=CC1=O

> <INCHI_IDENTIFIER>
InChI=1S/C23H25NO4/c1-10(2)13-7-6-11(3)16-17(13)14-9-24-20-19(15(25)8-12(4)21(20)26)18(14)23(28-5)22(16)27/h8-11,13,27H,6-7H2,1-5H3/t11-,13+/m0/s1

> <INCHI_KEY>
QVMJMQQPXSXDSY-WCQYABFASA-N

> <FORMULA>
C23H25NO4

> <MOLECULAR_WEIGHT>
379.456

> <EXACT_MASS>
379.178358289

$$$$

HEADER    PROTEIN                                 16-MAR-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   16-MAR-23         0                                  
HETATM    1  C   UNK     0       4.358   5.427   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       3.854   3.971   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       4.862   2.807   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       6.375   3.098   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       6.879   4.553   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       7.383   1.934   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       6.879   0.479   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       7.887  -0.685   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       9.399  -0.394   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       9.903   1.061   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       8.895   2.225   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       9.399   3.680   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       7.383  -2.140   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       8.391  -3.304   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       5.870  -2.431   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       5.366   0.188   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       4.358   1.352   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       2.846   1.061   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.342  -0.394   0.000  0.00  0.00           C+0
HETATM   20  N   UNK     0       3.350  -1.558   0.000  0.00  0.00           N+0
HETATM   21  C   UNK     0       4.862  -1.267   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       0.830  -0.685   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       0.326  -2.140   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      -0.179   0.479   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -1.691   0.188   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       0.326   1.934   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       1.838   2.225   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       2.342   3.680   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   17                                                  
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7   11                                                  
CONECT    7    6    8   16                                                  
CONECT    8    7    9   13                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10    6   12                                                  
CONECT   12   11                                                            
CONECT   13    8   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13                                                            
CONECT   16    7   17   21                                                  
CONECT   17   16    3   18                                                  
CONECT   18   17   19   27                                                  
CONECT   19   18   20   22                                                  
CONECT   20   19   21                                                       
CONECT   21   20   16                                                       
CONECT   22   19   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27                                                       
CONECT   27   26   18   28                                                  
CONECT   28   27                                                            
MASTER        0    0    0    0    0    0    0    0   28    0   62    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₃H₂₅NO₄

Average Mass

379.4560 Da

Monoisotopic Mass

379.17836 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

COC1=C(O)C2=C([C@H](CC[C@@H]2C)C(C)C)C2=C1C1=C(N=C2)C(=O)C(C)=CC1=O

InChI Identifier

InChI=1S/C23H25NO4/c1-10(2)13-7-6-11(3)16-17(13)14-9-24-20-19(15(25)8-12(4)21(20)26)18(14)23(28-5)22(16)27/h8-11,13,27H,6-7H2,1-5H3/t11-,13+/m0/s1

InChI Key

QVMJMQQPXSXDSY-WCQYABFASA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View

Predicted Spectra

Not Available

Chemical Shift Submissions

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹H NMR Spectrum (1D, 700.0, Acetone-d6, simulated)	epoynton@sfu.ca	Not Available	Not Available	2026-02-15	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 175.0, Acetone-d6, simulated)	epoynton@sfu.ca	Not Available	Not Available	2026-02-15	View Spectrum

Species

Species of Origin

Species Name	Source	Reference
Heimiomyces sp.		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 7-Hydroxy-11-isopropyl-6-methoxy-16,17-dimethyl-8,9,10,11-tetrahydrobenzophenanthridine-2,5-dione (NP0352744)

MOL for NP0352744 (7-Hydroxy-11-isopropyl-6-methoxy-16,17-dimethyl-8,9,10,11-tetrahydrobenzophenanthridine-2,5-dione)

3D MOL for NP0352744 (7-Hydroxy-11-isopropyl-6-methoxy-16,17-dimethyl-8,9,10,11-tetrahydrobenzophenanthridine-2,5-dione)

3D SDF for NP0352744 (7-Hydroxy-11-isopropyl-6-methoxy-16,17-dimethyl-8,9,10,11-tetrahydrobenzophenanthridine-2,5-dione)

3D-SDF for NP0352744 (7-Hydroxy-11-isopropyl-6-methoxy-16,17-dimethyl-8,9,10,11-tetrahydrobenzophenanthridine-2,5-dione)

PDB for NP0352744 (7-Hydroxy-11-isopropyl-6-methoxy-16,17-dimethyl-8,9,10,11-tetrahydrobenzophenanthridine-2,5-dione)

3D PDB for NP0352744 (7-Hydroxy-11-isopropyl-6-methoxy-16,17-dimethyl-8,9,10,11-tetrahydrobenzophenanthridine-2,5-dione)

SMILES for NP0352744 (7-Hydroxy-11-isopropyl-6-methoxy-16,17-dimethyl-8,9,10,11-tetrahydrobenzophenanthridine-2,5-dione)

INCHI for NP0352744 (7-Hydroxy-11-isopropyl-6-methoxy-16,17-dimethyl-8,9,10,11-tetrahydrobenzophenanthridine-2,5-dione)

Structure for NP0352744 (7-Hydroxy-11-isopropyl-6-methoxy-16,17-dimethyl-8,9,10,11-tetrahydrobenzophenanthridine-2,5-dione)

3D Structure for NP0352744 (7-Hydroxy-11-isopropyl-6-methoxy-16,17-dimethyl-8,9,10,11-tetrahydrobenzophenanthridine-2,5-dione)