NP-MRD: Showing NP-Card for (1r,9r,10r,12s)-12-hydroxy-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadeca-2,4-dien-6-one (NP0239729)

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Record Information

Version

2.0

Created at

2022-09-06 23:23:00 UTC

Updated at

2022-09-06 23:23:00 UTC

NP-MRD ID

NP0239729

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1r,9r,10r,12s)-12-hydroxy-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadeca-2,4-dien-6-one

Description

Baptifoline belongs to the class of organic compounds known as anagyrine-type alkaloids. These are lupin alkaloids with a structure based on the anagyrine skeleton. Anagyrine is a tetracyclic ketone containing a quinolizidine, and two pyridine rings fused together to form dipyrido[1,2-a:1',2'-E][1,5]diazocin-4-one. (1r,9r,10r,12s)-12-hydroxy-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadeca-2,4-dien-6-one is found in Maackia tenuifolia. (1r,9r,10r,12s)-12-hydroxy-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadeca-2,4-dien-6-one was first documented in 2002 (PMID: 12453529). Based on a literature review a small amount of articles have been published on Baptifoline (PMID: 34325193) (PMID: 16876210) (PMID: 23420136) (PMID: 16887297).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 39 42  0  0  0  0  0  0  0  0999 V2000
    3.3427   -2.8455    0.0779 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4001   -1.5819   -0.0035 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5851   -0.9519   -0.2881 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6732    0.4137   -0.3816 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5117    1.1357   -0.1759 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3272    0.5091    0.1086 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2977   -0.8203    0.1874 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0726   -1.5112    0.4718 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0445   -0.7395    1.2217 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4855    0.6481    1.6176 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0857    1.2720    0.3405 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1024    1.0863   -0.8241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1331    0.6823   -0.2829 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3072    1.1975   -0.8528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3299    0.0938   -1.0275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6537   -0.4522    0.3444 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.5337    0.4242    0.9600 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4418   -0.6552    1.1906 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1981   -0.5879    0.3287 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4757   -1.5632   -0.4425 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6254    0.8663   -0.6075 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5674    2.2126   -0.2467 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6828   -1.8475   -0.5405 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2933   -2.4773    1.0140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2453   -1.3110    2.1482 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2497    0.6716    2.3893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4216    1.2591    1.8561 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2358    2.3293    0.5582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0284    2.0532   -1.3494 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5414    0.3904   -1.5738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7679    1.9264   -0.1230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1498    1.7583   -1.7980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2572    0.4713   -1.5036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8560   -0.7179   -1.6073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1848   -1.4428    0.2533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0272    0.9901    0.3223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3847    0.1969    1.9209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4620   -1.6307    1.7003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2172   -1.4523   -0.3541 H   0  0  0  0  0  0  0  0  0  0  0  0
 17 16  1  0
 16 15  1  0
 15 14  1  0
 14 13  1  0
 13 12  1  0
 12 11  1  0
 11 10  1  0
 10  9  1  0
  9  8  1  0
  8  7  1  0
  7  2  1  0
  2  1  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  9 19  1  0
 19 18  1  0
 18 16  1  0
 19 13  1  0
  6 11  1  0
  6  7  1  0
 17 36  1  0
 16 35  1  6
 15 33  1  0
 15 34  1  0
 14 31  1  0
 14 32  1  0
 12 29  1  0
 12 30  1  0
 11 28  1  1
 10 26  1  0
 10 27  1  0
  9 25  1  1
  8 23  1  0
  8 24  1  0
  3 20  1  0
  4 21  1  0
  5 22  1  0
 19 39  1  6
 18 37  1  0
 18 38  1  0
M  END


  Mrv1652309072201232D          

 19 22  0  0  1  0            999 V2000
    5.6259    3.2719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6259    2.4469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3404    2.0344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3404    1.2094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6259    0.7969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9114    1.2094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9114    2.0344    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3281    2.6178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5031    2.6178    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1646    1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3281    0.6260    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5031    0.6260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9197    1.2094    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2053    0.7969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4908    1.2094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4908    2.0344    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7763    2.4469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2053    2.4469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9197    2.0344    0.0000 C   0  0  2  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
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  6  0  0  0
 11 10  1  6  0  0  0
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  6  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
  9 19  1  0  0  0  0
 19 13  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0239729

> <DATABASE_NAME>
NP-MRD

> <SMILES>
O[C@H]1CCN2C[C@H]3C[C@H](CN4C(=O)C=CC=C34)[C@H]2C1

> <INCHI_IDENTIFIER>
InChI=1S/C15H20N2O2/c18-12-4-5-16-8-10-6-11(14(16)7-12)9-17-13(10)2-1-3-15(17)19/h1-3,10-12,14,18H,4-9H2/t10-,11-,12+,14-/m1/s1

> <INCHI_KEY>
AOOCSKCGZYCEJX-NRWUCQMLSA-N

> <FORMULA>
C15H20N2O2

> <MOLECULAR_WEIGHT>
260.337

> <EXACT_MASS>
260.152477892

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
39

> <JCHEM_AVERAGE_POLARIZABILITY>
28.214020123527877

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,9R,10R,12S)-12-hydroxy-7,15-diazatetracyclo[7.7.1.0^{2,7}.0^{10,15}]heptadeca-2,4-dien-6-one

> <JCHEM_LOGP>
-0.5189790070000008

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.169454069354025

> <JCHEM_PKA_STRONGEST_BASIC>
8.670226444811446

> <JCHEM_POLAR_SURFACE_AREA>
43.78

> <JCHEM_REFRACTIVITY>
75.6175

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(1R,9R,10R,12S)-12-hydroxy-7,15-diazatetracyclo[7.7.1.0^{2,7}.0^{10,15}]heptadeca-2,4-dien-6-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 07-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-SEP-22         0                                  
HETATM    1  O   UNK     0      10.502   6.108   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      10.502   4.568   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      11.835   3.798   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      11.835   2.258   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      10.502   1.488   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       9.168   2.258   0.000  0.00  0.00           C+0
HETATM    7  N   UNK     0       9.168   3.798   0.000  0.00  0.00           N+0
HETATM    8  C   UNK     0       8.079   4.886   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       6.539   4.886   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       7.774   3.220   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       8.079   1.169   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       6.539   1.169   0.000  0.00  0.00           C+0
HETATM   13  N   UNK     0       5.450   2.258   0.000  0.00  0.00           N+0
HETATM   14  C   UNK     0       4.116   1.488   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.783   2.258   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.783   3.798   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       1.449   4.568   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       4.116   4.568   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       5.450   3.798   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    7                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   11                                                  
CONECT    7    6    2    8                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10   19                                                  
CONECT   10    9   11                                                       
CONECT   11   10    6   12                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   19                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19                                                       
CONECT   19   18    9   13                                                  
MASTER        0    0    0    0    0    0    0    0   19    0   44    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₅H₂₀N₂O₂

Average Mass

260.3370 Da

Monoisotopic Mass

260.15248 Da

IUPAC Name

(1R,9R,10R,12S)-12-hydroxy-7,15-diazatetracyclo[7.7.1.0^{2,7}.0^{10,15}]heptadeca-2,4-dien-6-one

Traditional Name

(1R,9R,10R,12S)-12-hydroxy-7,15-diazatetracyclo[7.7.1.0^{2,7}.0^{10,15}]heptadeca-2,4-dien-6-one

CAS Registry Number

Not Available

SMILES

O[C@H]1CCN2C[C@H]3C[C@H](CN4C(=O)C=CC=C34)[C@H]2C1

InChI Identifier

InChI=1S/C15H20N2O2/c18-12-4-5-16-8-10-6-11(14(16)7-12)9-17-13(10)2-1-3-15(17)19/h1-3,10-12,14,18H,4-9H2/t10-,11-,12+,14-/m1/s1

InChI Key

AOOCSKCGZYCEJX-NRWUCQMLSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Maackia tenuifolia	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as anagyrine-type alkaloids. These are lupin alkaloids with a structure based on the anagyrine skeleton. Anagyrine is a tetracyclic ketone containing a quinolizidine, and two pyridine rings fused together to form dipyrido[1,2-a:1',2'-E][1,5]diazocin-4-one.

Kingdom

Organic compounds

Super Class

Alkaloids and derivatives

Class

Lupin alkaloids

Sub Class

Anagyrine-type alkaloids

Direct Parent

Anagyrine-type alkaloids

Alternative Parents

Substituents

Anagyrine-type alkaloid
Quinolizidine
Pyridinone
Aralkylamine
Piperidine
Pyridine
Heteroaromatic compound
Lactam
Secondary alcohol
Tertiary aliphatic amine
Tertiary amine
Azacycle
Organoheterocyclic compound
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Organooxygen compound
Organonitrogen compound
Organic oxygen compound
Organic nitrogen compound
Alcohol
Amine
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

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
logP	-0.52	ChemAxon
pKa (Strongest Acidic)	15.17	ChemAxon
pKa (Strongest Basic)	8.67	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	43.78 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	75.62 m³·mol⁻¹	ChemAxon
Polarizability	28.21 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00002212

Chemspider ID

141074

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

160543

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Moura GGD, Barros AV, Machado F, Martins AD, Silva CMD, Durango LGC, Forim M, Alves E, Pasqual M, Doria J: Endophytic bacteria from strawberry plants control gray mold in fruits via production of antifungal compounds against Botrytis cinerea L. Microbiol Res. 2021 Jun 12;251:126793. doi: 10.1016/j.micres.2021.126793. [PubMed:34325193 ]
Maximo P, Lourenco A, Tei A, Wink M: Chemotaxonomy of Portuguese Ulex: quinolizidine alkaloids as taxonomical markers. Phytochemistry. 2006 Sep;67(17):1943-9. doi: 10.1016/j.phytochem.2006.05.037. Epub 2006 Jul 28. [PubMed:16876210 ]
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LOTUS database [Link]

Showing NP-Card for (1r,9r,10r,12s)-12-hydroxy-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadeca-2,4-dien-6-one (NP0239729)

MOL for NP0239729 ((1r,9r,10r,12s)-12-hydroxy-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadeca-2,4-dien-6-one)

3D MOL for NP0239729 ((1r,9r,10r,12s)-12-hydroxy-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadeca-2,4-dien-6-one)

3D SDF for NP0239729 ((1r,9r,10r,12s)-12-hydroxy-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadeca-2,4-dien-6-one)

3D-SDF for NP0239729 ((1r,9r,10r,12s)-12-hydroxy-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadeca-2,4-dien-6-one)

PDB for NP0239729 ((1r,9r,10r,12s)-12-hydroxy-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadeca-2,4-dien-6-one)

3D PDB for NP0239729 ((1r,9r,10r,12s)-12-hydroxy-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadeca-2,4-dien-6-one)

SMILES for NP0239729 ((1r,9r,10r,12s)-12-hydroxy-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadeca-2,4-dien-6-one)

INCHI for NP0239729 ((1r,9r,10r,12s)-12-hydroxy-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadeca-2,4-dien-6-one)

Structure for NP0239729 ((1r,9r,10r,12s)-12-hydroxy-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadeca-2,4-dien-6-one)

3D Structure for NP0239729 ((1r,9r,10r,12s)-12-hydroxy-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadeca-2,4-dien-6-one)