NP-MRD: Showing NP-Card for (4bs,7r,8as)-4b-(3-hydroxypropyl)-7-methyl-6h,7h,8h,8ah,9h-indeno[2,1-b]pyridin-5-one (NP0280116)

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Record Information

Version

2.0

Created at

2022-09-09 05:44:30 UTC

Updated at

2022-09-09 05:44:30 UTC

NP-MRD ID

NP0280116

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(4bs,7r,8as)-4b-(3-hydroxypropyl)-7-methyl-6h,7h,8h,8ah,9h-indeno[2,1-b]pyridin-5-one

Description

Lycopladine A belongs to the class of organic compounds known as pyridines and derivatives. Pyridines and derivatives are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms. (4bs,7r,8as)-4b-(3-hydroxypropyl)-7-methyl-6h,7h,8h,8ah,9h-indeno[2,1-b]pyridin-5-one was first documented in 2016 (PMID: 27484340). Based on a literature review a small amount of articles have been published on Lycopladine A (PMID: 36005743) (PMID: 29568827) (PMID: 28671469) (PMID: 28266102).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 40 42  0  0  0  0  0  0  0  0999 V2000
    2.8203   -2.1134   -1.0015 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2617   -0.8448   -1.5930 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7977   -1.0399   -2.0148 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0683   -1.2711   -0.7487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4672   -2.3229   -0.5616 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0230   -0.1962    0.2504 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7637   -0.5954    1.4403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2087   -0.8505    1.1931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9499   -1.2514    2.4598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2976   -1.4809    2.1862 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3618    1.1157   -0.3063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2923    1.5087   -1.2386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4796    2.8229   -1.6141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6503    3.7381   -0.9757 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2516    3.3606   -0.0725 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4231    2.0764    0.2838 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3673    1.4253    1.2721 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4924    0.0550    0.6447 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3271    0.2562   -0.6005 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9047   -2.1526   -1.2579 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7376   -2.1048    0.0914 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3468   -3.0259   -1.4482 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7978   -0.5308   -2.4963 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4928   -0.0960   -2.5132 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7664   -1.9106   -2.6932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2885   -1.4491    1.9936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7237    0.2447    2.1982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7459    0.0503    0.7994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3703   -1.6664    0.4819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9299   -0.4015    3.1901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4614   -2.1061    2.9656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3322   -2.2755    1.5956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9493    0.7842   -1.7444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2177    3.1305   -2.3530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7862    4.7888   -1.2630 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9205    1.4099    2.2614 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3364    1.9763    1.2408 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8717   -0.7101    1.3176 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167    1.1843   -1.0946 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3520    0.4684   -0.2746 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2 19  1  0
 19 18  1  0
 18 17  1  0
 17 16  1  0
 16 15  2  0
 15 14  1  0
 14 13  2  0
 13 12  1  0
 12 11  2  0
 11  6  1  0
  6  7  1  1
  7  8  1  0
  8  9  1  0
  9 10  1  0
  6  4  1  0
  4  5  2  0
  4  3  1  0
  3  2  1  0
  6 18  1  0
 11 16  1  0
  1 20  1  0
  1 21  1  0
  1 22  1  0
  2 23  1  6
 19 39  1  0
 19 40  1  0
 18 38  1  1
 17 36  1  0
 17 37  1  0
 14 35  1  0
 13 34  1  0
 12 33  1  0
  7 26  1  0
  7 27  1  0
  8 28  1  0
  8 29  1  0
  9 30  1  0
  9 31  1  0
 10 32  1  0
  3 24  1  0
  3 25  1  0
M  END


  Mrv1652309092207442D          

 19 21  0  0  1  0            999 V2000
   -0.3924   -2.3162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4146   -2.1447    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6695   -1.3601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4765   -1.1885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7314   -0.4039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0285   -1.8016    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3641   -1.0479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1846   -0.9617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5201   -0.2080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0352    0.4594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8535   -1.8016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4056   -1.1885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2125   -1.3601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4675   -2.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9154   -2.7578    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1085   -2.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4410   -3.0712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7736   -2.5862    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9666   -2.7578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  1  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 11 16  1  0  0  0  0
 16 17  1  0  0  0  0
 18 17  1  6  0  0  0
  6 18  1  0  0  0  0
 18 19  1  0  0  0  0
  2 19  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0280116

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@@H]1C[C@H]2CC3=NC=CC=C3[C@@]2(CCCO)C(=O)C1

> <INCHI_IDENTIFIER>
InChI=1S/C16H21NO2/c1-11-8-12-10-14-13(4-2-6-17-14)16(12,5-3-7-18)15(19)9-11/h2,4,6,11-12,18H,3,5,7-10H2,1H3/t11-,12+,16+/m1/s1

> <INCHI_KEY>
UUWWQFVGOFXKLC-WQGACYEGSA-N

> <FORMULA>
C16H21NO2

> <MOLECULAR_WEIGHT>
259.349

> <EXACT_MASS>
259.15722892

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
40

> <JCHEM_AVERAGE_POLARIZABILITY>
29.281695830038252

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(4bS,7R,8aS)-4b-(3-hydroxypropyl)-7-methyl-4bH,5H,6H,7H,8H,8aH,9H-indeno[2,1-b]pyridin-5-one

> <JCHEM_LOGP>
2.0088660800000007

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.972536251023168

> <JCHEM_PKA_STRONGEST_BASIC>
4.286707860541969

> <JCHEM_POLAR_SURFACE_AREA>
50.19

> <JCHEM_REFRACTIVITY>
73.7031

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(4bS,7R,8aS)-4b-(3-hydroxypropyl)-7-methyl-6H,7H,8H,8aH,9H-indeno[2,1-b]pyridin-5-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 09-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   09-SEP-22         0                                  
HETATM    1  C   UNK     0      -0.732  -4.324   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.774  -4.003   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.250  -2.539   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.756  -2.219   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       3.232  -0.754   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       3.787  -3.363   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       4.413  -1.956   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       5.945  -1.795   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       6.571  -0.388   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       5.666   0.858   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       5.327  -3.363   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       6.357  -2.219   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       7.863  -2.539   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       8.339  -4.003   0.000  0.00  0.00           C+0
HETATM   15  N   UNK     0       7.309  -5.148   0.000  0.00  0.00           N+0
HETATM   16  C   UNK     0       5.802  -4.828   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       4.557  -5.733   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       3.311  -4.828   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       1.804  -5.148   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   19                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7   11   18                                             
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9                                                            
CONECT   11    6   12   16                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   11   17                                                  
CONECT   17   16   18                                                       
CONECT   18   17    6   19                                                  
CONECT   19   18    2                                                       
MASTER        0    0    0    0    0    0    0    0   19    0   42    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₆H₂₁NO₂

Average Mass

259.3490 Da

Monoisotopic Mass

259.15723 Da

IUPAC Name

(4bS,7R,8aS)-4b-(3-hydroxypropyl)-7-methyl-4bH,5H,6H,7H,8H,8aH,9H-indeno[2,1-b]pyridin-5-one

Traditional Name

(4bS,7R,8aS)-4b-(3-hydroxypropyl)-7-methyl-6H,7H,8H,8aH,9H-indeno[2,1-b]pyridin-5-one

CAS Registry Number

Not Available

SMILES

C[C@@H]1C[C@H]2CC3=NC=CC=C3[C@@]2(CCCO)C(=O)C1

InChI Identifier

InChI=1S/C16H21NO2/c1-11-8-12-10-14-13(4-2-6-17-14)16(12,5-3-7-18)15(19)9-11/h2,4,6,11-12,18H,3,5,7-10H2,1H3/t11-,12+,16+/m1/s1

InChI Key

UUWWQFVGOFXKLC-WQGACYEGSA-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

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as pyridines and derivatives. Pyridines and derivatives are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Pyridines and derivatives

Sub Class

Not Available

Direct Parent

Pyridines and derivatives

Alternative Parents

Substituents

Pyridine
Heteroaromatic compound
Ketone
Azacycle
Organic nitrogen compound
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Primary alcohol
Organooxygen compound
Organonitrogen compound
Carbonyl group
Alcohol
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	2.01	ChemAxon
pKa (Strongest Acidic)	15.97	ChemAxon
pKa (Strongest Basic)	4.29	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	50.19 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	73.7 m³·mol⁻¹	ChemAxon
Polarizability	29.28 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	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

Not Available

Chemspider ID

7827986

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

9549063

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Sim KH, Ul Ansari T, Park YG, Jeong Y, Oh SH, Min HW, Jeon DY, Kim H, Cho CG: A Regio- and Diastereoselective Stille Coupling/Intramolecular Diels-Alder Cascade for the Generation of Fused Pyridines and Application in the Synthesis of (+)-Lycopladine A and (-)-Lycoposerramine R. Angew Chem Int Ed Engl. 2022 Oct 17;61(42):e202212016. doi: 10.1002/anie.202212016. Epub 2022 Sep 19. [PubMed:36005743 ]
Chen S, Wang J, Qiu FG: A divergent and concise total synthesis of (-)-lycoposerramine R and (+)-lycopladine A. Chem Commun (Camb). 2018 Apr 5;54(29):3598-3600. doi: 10.1039/C8CC01626G. [PubMed:29568827 ]
Hartrampf FWW, Trauner D: Total Synthesis of Lycopladine A and Carinatine A via a Base-Mediated Carbocyclization. J Org Chem. 2017 Aug 4;82(15):8206-8212. doi: 10.1021/acs.joc.7b00908. Epub 2017 Jul 19. [PubMed:28671469 ]
Liu XJ, You SL: Enantioselective Iridium-Catalyzed Allylic Substitution with 2-Methylpyridines. Angew Chem Int Ed Engl. 2017 Mar 27;56(14):4002-4005. doi: 10.1002/anie.201700433. Epub 2017 Mar 7. [PubMed:28266102 ]
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LOTUS database [Link]

Showing NP-Card for (4bs,7r,8as)-4b-(3-hydroxypropyl)-7-methyl-6h,7h,8h,8ah,9h-indeno[2,1-b]pyridin-5-one (NP0280116)

MOL for NP0280116 ((4bs,7r,8as)-4b-(3-hydroxypropyl)-7-methyl-6h,7h,8h,8ah,9h-indeno[2,1-b]pyridin-5-one)

3D MOL for NP0280116 ((4bs,7r,8as)-4b-(3-hydroxypropyl)-7-methyl-6h,7h,8h,8ah,9h-indeno[2,1-b]pyridin-5-one)

3D SDF for NP0280116 ((4bs,7r,8as)-4b-(3-hydroxypropyl)-7-methyl-6h,7h,8h,8ah,9h-indeno[2,1-b]pyridin-5-one)

3D-SDF for NP0280116 ((4bs,7r,8as)-4b-(3-hydroxypropyl)-7-methyl-6h,7h,8h,8ah,9h-indeno[2,1-b]pyridin-5-one)

PDB for NP0280116 ((4bs,7r,8as)-4b-(3-hydroxypropyl)-7-methyl-6h,7h,8h,8ah,9h-indeno[2,1-b]pyridin-5-one)

3D PDB for NP0280116 ((4bs,7r,8as)-4b-(3-hydroxypropyl)-7-methyl-6h,7h,8h,8ah,9h-indeno[2,1-b]pyridin-5-one)

SMILES for NP0280116 ((4bs,7r,8as)-4b-(3-hydroxypropyl)-7-methyl-6h,7h,8h,8ah,9h-indeno[2,1-b]pyridin-5-one)

INCHI for NP0280116 ((4bs,7r,8as)-4b-(3-hydroxypropyl)-7-methyl-6h,7h,8h,8ah,9h-indeno[2,1-b]pyridin-5-one)

Structure for NP0280116 ((4bs,7r,8as)-4b-(3-hydroxypropyl)-7-methyl-6h,7h,8h,8ah,9h-indeno[2,1-b]pyridin-5-one)

3D Structure for NP0280116 ((4bs,7r,8as)-4b-(3-hydroxypropyl)-7-methyl-6h,7h,8h,8ah,9h-indeno[2,1-b]pyridin-5-one)