NP-MRD: Showing NP-Card for Rohitukine (NP0081682)

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Record Information

Version

2.0

Created at

2022-04-29 02:44:14 UTC

Updated at

2022-04-29 02:44:14 UTC

NP-MRD ID

NP0081682

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Rohitukine

Description

Rohitukine belongs to the class of organic compounds known as phenylpiperidines. Phenylpiperidines are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group. Rohitukine is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. Rohitukine is found in Dysoxylum acutangulum , Dysoxylum binectariferum, Dysoxylum gotadhora, Schumanniophyton magnificum and Schumanniophyton problematicum. Rohitukine was first documented in 2019 (PMID: 31513869). Based on a literature review a small amount of articles have been published on rohitukine (PMID: 34324743) (PMID: 33773222) (PMID: 32858336) (PMID: 32165175).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 41 43  0  0  0  0  0  0  0  0999 V2000
    1.7072   -1.7941   -3.0015 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9715   -0.7151   -2.0046 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1597   -0.0110   -2.1295 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4506    0.9909   -1.2222 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5314    1.6249   -1.3528 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5382    1.2635   -0.2017 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7893    2.2188    0.7282 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9190    2.9855    0.7303 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8288    2.4102    1.7464 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6857    1.6582    1.7925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2423    1.8947    2.8442 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3939    0.6901    0.8777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8189   -0.0398    0.7654 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1913   -1.0134    1.8803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9704   -2.1082    1.0266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8002   -1.4957    0.0700 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6062   -1.8666   -1.3087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2679   -0.1784    0.2561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1212    0.8048    0.6449 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5089    1.3837    1.8281 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3865    0.5174   -0.1448 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1490   -0.4071   -1.0139 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6897   -2.2606   -3.2441 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2969   -1.3630   -3.9149 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0707   -2.5732   -2.4919 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8213   -0.2589   -2.9399 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6957    3.0413    0.1760 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0548    3.1828    2.4623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708    2.6248    3.5248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8207   -0.5989   -0.2049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2779   -1.5323    2.1828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8413   -0.6931    2.6460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3479   -2.8835    1.6744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0523   -2.5753    0.4614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0391   -1.0596   -1.9992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1588   -2.8288   -1.4487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5963   -2.0808   -1.6211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0735   -0.1309    1.0551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7719    0.2386   -0.6315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0611    1.5439   -0.1517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5008    1.3940    1.8534 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 19  1  0
 19 20  1  0
 19 18  1  0
 13 12  1  0
 12 21  2  0
 21 22  1  0
 22  2  1  0
  2  1  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 18 16  1  0
 10 12  1  0
  6 21  1  0
 17 35  1  0
 17 36  1  0
 17 37  1  0
 15 33  1  0
 15 34  1  0
 14 31  1  0
 14 32  1  0
 13 30  1  6
 19 40  1  6
 20 41  1  0
 18 38  1  0
 18 39  1  0
  1 23  1  0
  1 24  1  0
  1 25  1  0
  3 26  1  0
  8 27  1  0
  9 28  1  0
 11 29  1  0
M  END


  Mrv1652304292204442D          

 22 24  0  0  1  0            999 V2000
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 O   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
  1  6  1  0  0  0  0
  7  6  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
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  1  0  0  0
 10 14  1  0  0  0  0
  5 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
  4 18  1  0  0  0  0
 18 19  2  0  0  0  0
 16 20  1  0  0  0  0
  3 21  1  0  0  0  0
  1 22  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0081682

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CN1CC[C@@H]([C@H](O)C1)C1=C2OC(C)=CC(=O)C2=C(O)C=C1O

> <INCHI_IDENTIFIER>
InChI=1S/C16H19NO5/c1-8-5-10(18)15-12(20)6-11(19)14(16(15)22-8)9-3-4-17(2)7-13(9)21/h5-6,9,13,19-21H,3-4,7H2,1-2H3/t9-,13+/m0/s1

> <INCHI_KEY>
MOCVYVBNJQIVOV-TVQRCGJNSA-N

> <FORMULA>
C16H19NO5

> <MOLECULAR_WEIGHT>
305.33

> <EXACT_MASS>
305.126322716

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
41

> <JCHEM_AVERAGE_POLARIZABILITY>
31.200360575083085

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]-2-methyl-4H-chromen-4-one

> <ALOGPS_LOGP>
0.98

> <JCHEM_LOGP>
0.744275973689639

> <ALOGPS_LOGS>
-1.76

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
8.470270196607682

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.6770990555873935

> <JCHEM_PKA_STRONGEST_BASIC>
7.318033666617138

> <JCHEM_POLAR_SURFACE_AREA>
90.23

> <JCHEM_REFRACTIVITY>
83.0692

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.31e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
rohitukine

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 29-APR-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   29-APR-22         0                                  
HETATM    1  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.000  -0.000   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -1.334   2.310   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -1.334   3.850   0.000  0.00  0.00           C+0
HETATM   10  N   UNK     0       0.000   4.620   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0       1.334   3.850   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       2.667   1.540   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       0.000   6.160   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       2.667  -0.000   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       2.667  -4.620   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       5.335  -0.000   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       0.000  -4.620   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      -2.667   0.000   0.000  0.00  0.00           O+0
CONECT    1    2    6   22                                                  
CONECT    2    1    3                                                       
CONECT    3    2    4   21                                                  
CONECT    4    3    5   18                                                  
CONECT    5    4    6   15                                                  
CONECT    6    5    1    7                                                  
CONECT    7    6    8   12                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   14                                                  
CONECT   11   10   12                                                       
CONECT   12   11    7   13                                                  
CONECT   13   12                                                            
CONECT   14   10                                                            
CONECT   15    5   16                                                       
CONECT   16   15   17   20                                                  
CONECT   17   16   18                                                       
CONECT   18   17    4   19                                                  
CONECT   19   18                                                            
CONECT   20   16                                                            
CONECT   21    3                                                            
CONECT   22    1                                                            
MASTER        0    0    0    0    0    0    0    0   22    0   48    0
END

View in JSmol

Synonyms

Value	Source
5,7-Dihydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]-2-methyl-4H-1-benzopyran-4-one	ChEBI
5,7-Dihydroxy-2-methyl-8-(4-(3-hydroxy-1-methyl)-piperidinyl)-4H-1-benzopyran-4-one	MeSH

Chemical Formula

C₁₆H₁₉NO₅

Average Mass

305.3300 Da

Monoisotopic Mass

305.12632 Da

IUPAC Name

5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]-2-methyl-4H-chromen-4-one

Traditional Name

rohitukine

CAS Registry Number

Not Available

SMILES

CN1CC[C@@H]([C@H](O)C1)C1=C2OC(C)=CC(=O)C2=C(O)C=C1O

InChI Identifier

InChI=1S/C16H19NO5/c1-8-5-10(18)15-12(20)6-11(19)14(16(15)22-8)9-3-4-17(2)7-13(9)21/h5-6,9,13,19-21H,3-4,7H2,1-2H3/t9-,13+/m0/s1

InChI Key

MOCVYVBNJQIVOV-TVQRCGJNSA-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, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, 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
Dysoxylum acutangulum	Plant	KNApSAcK
Dysoxylum binectariferum	LOTUS Database	35616633
Dysoxylum gotadhora	LOTUS Database	35616633
Schumanniophyton magnificum	LOTUS Database	35616633
Schumanniophyton problematicum	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as phenylpiperidines. Phenylpiperidines are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Piperidines

Sub Class

Phenylpiperidines

Direct Parent

Phenylpiperidines

Alternative Parents

Substituents

Phenylpiperidine
Chromone
Benzopyran
1-benzopyran
1-hydroxy-2-unsubstituted benzenoid
Phenol
Pyranone
Aralkylamine
Benzenoid
Pyran
Heteroaromatic compound
Vinylogous acid
1,2-aminoalcohol
Tertiary aliphatic amine
Tertiary amine
Secondary alcohol
Oxacycle
Azacycle
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Organic oxide
Organic oxygen compound
Amine
Organic nitrogen compound
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	0.98	ALOGPS
logP	0.74	ChemAxon
logS	-1.8	ALOGPS
pKa (Strongest Acidic)	6.68	ChemAxon
pKa (Strongest Basic)	7.32	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	90.23 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	83.07 m³·mol⁻¹	ChemAxon
Polarizability	31.2 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

C00048080

Chemspider ID

24665260

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

13422573

PDB ID

Not Available

ChEBI ID

156498

Good Scents ID

Not Available

References

General References

Mintoo M, Khan S, Wani A, Malik S, Bhurta D, Bharate S, Malik F, Mondhe D: A rohitukine derivative IIIM-290 induces p53 dependent mitochondrial apoptosis in acute lymphoblastic leukemia cells. Mol Carcinog. 2021 Oct;60(10):671-683. doi: 10.1002/mc.23332. Epub 2021 Jul 29. [PubMed:34324743 ]
Balaramnavar VM, Srivastava R, Varshney S, Kumar S, Rawat AK, Chandasana H, Chhonker YS, Bhatta RS, Srivastava AK, Gaikwad AN, Lakshmi V, Saxena AK: Synthesis, biological evaluation, and molecular docking study of some new rohitukine analogs as protein tyrosine phosphatase 1B inhibitors. Bioorg Chem. 2021 May;110:104829. doi: 10.1016/j.bioorg.2021.104829. Epub 2021 Mar 15. [PubMed:33773222 ]
Ray B, Mehrotra R: Nucleic acid binding mechanism of flavone derivative, riviciclib: Structural analysis to unveil anticancer potential. J Photochem Photobiol B. 2020 Oct;211:111990. doi: 10.1016/j.jphotobiol.2020.111990. Epub 2020 Aug 11. [PubMed:32858336 ]
Kumar V, Bharate SS, Bhurta D, Gupta M, Gandhi SG, Singh D, Jaglan S, Kumar A, Vishwakarma RA, Bharate SB: Evaluation of rohitukine-enriched fraction of Dysoxylum binectariferum Hook.f. (leaves) as anti-arthritic phytopharmaceutical candidate: Chemical standardization, in-vivo validation, formulation development and oral pharmacokinetics. J Ethnopharmacol. 2020 May 23;254:112758. doi: 10.1016/j.jep.2020.112758. Epub 2020 Mar 9. [PubMed:32165175 ]
Kumar V, Mintoo MJ, Mondhe DM, Bharate SB, Vishwakarma RA, Bharate SS: Binary and ternary solid dispersions of an anticancer preclinical lead, IIIM-290: In vitro and in vivo studies. Int J Pharm. 2019 Oct 30;570:118683. doi: 10.1016/j.ijpharm.2019.118683. Epub 2019 Sep 9. [PubMed:31513869 ]

Showing NP-Card for Rohitukine (NP0081682)

MOL for NP0081682 (Rohitukine)

3D MOL for NP0081682 (Rohitukine)

3D SDF for NP0081682 (Rohitukine)

3D-SDF for NP0081682 (Rohitukine)

PDB for NP0081682 (Rohitukine)

3D PDB for NP0081682 (Rohitukine)

SMILES for NP0081682 (Rohitukine)

INCHI for NP0081682 (Rohitukine)

Structure for NP0081682 (Rohitukine)

3D Structure for NP0081682 (Rohitukine)