NP-MRD: Showing NP-Card for Yunnancoronarin B (NP0072587)

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Record Information

Version

2.0

Created at

2022-04-28 17:55:03 UTC

Updated at

2022-04-28 17:55:03 UTC

NP-MRD ID

NP0072587

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Yunnancoronarin B

Description

Yunnancoronarin B belongs to the class of organic compounds known as diterpene lactones. These are diterpenoids containing a lactone moiety. Yunnancoronarin B is found in Hadychium yunnanense, Hedychium forrestii and Hedychium gardnerianum. Yunnancoronarin B was first documented in 2010 (PMID: 19960422). Based on a literature review a small amount of articles have been published on Yunnancoronarin B.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 51 53  0  0  0  0  0  0  0  0999 V2000
   -0.1035   -3.4180   -0.0017 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0319   -2.1369    0.3837 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2688   -1.7290    1.7876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1487   -0.4932    1.7593 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4754    0.5266    2.3514 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6347   -0.2528    0.3727 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.7926    0.6954    0.2993 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.9011    0.0495    1.1523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5629    2.0488    0.8461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3637    0.7719   -1.0882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3342    0.8263   -2.1741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2142   -0.1373   -2.0081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5616    0.0009   -0.6314 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0836    1.3374   -0.5480 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4789   -1.0827   -0.5499 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7619   -0.4848   -0.0583 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8634   -0.5214   -0.7736 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1439    0.0346   -0.3674 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2725    0.0144   -1.0645 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3546    0.6871   -0.3016 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7865    1.1097    0.9020 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4382    0.7194    0.8778 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6838    0.9711    1.8364 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4301   -4.1390    0.7142 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1265   -3.6541   -1.0229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7228   -2.5719    2.3135 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7315   -1.5067    2.2612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0376   -0.7383    2.3889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6467    0.5713    3.3415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0821   -1.2495    0.0554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8639    0.4754    0.7957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9067   -1.0310    0.9991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7613    0.3578    2.2062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7365    2.8183    0.0363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5857    2.2638    1.2595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3114    2.3431    1.6408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9593    1.7119   -1.1484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0784   -0.0514   -1.3079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9488    1.8544   -2.3579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8652    0.5501   -3.1308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4276    0.1029   -2.7448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5155   -1.1861   -2.1936 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5420    1.5252    0.4370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5543    2.1783   -0.9051 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9514    1.3220   -1.2730 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6990   -1.5420   -1.5483 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8012   -0.0072    0.9074 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7755   -1.0177   -1.7490 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3345   -0.4392   -2.0384 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7624    1.5473   -0.8745 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1721   -0.0246   -0.0639 H   0  0  0  0  0  0  0  0  0  0  0  0
  7  8  1  1
  7  9  1  0
  7 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  1
 13 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 15  2  1  0
  2  1  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  6 13  1  0
 22 18  1  0
  8 31  1  0
  8 32  1  0
  8 33  1  0
  9 34  1  0
  9 35  1  0
  9 36  1  0
 10 37  1  0
 10 38  1  0
 11 39  1  0
 11 40  1  0
 12 41  1  0
 12 42  1  0
 14 43  1  0
 14 44  1  0
 14 45  1  0
 15 46  1  6
 16 47  1  0
 17 48  1  0
 19 49  1  0
 20 50  1  0
 20 51  1  0
  1 24  1  0
  1 25  1  0
  3 26  1  0
  3 27  1  0
  4 28  1  1
  5 29  1  0
  6 30  1  6
M  END


  Mrv1652304282219552D          

 23 25  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
   -1.4289    0.0000    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  2  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    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    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3819    2.5474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270    3.3320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020    3.3320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0470    2.5474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7376    2.2925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   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
    1.8163   -2.3784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0416   -2.3784    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   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  6  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  6  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  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
 10 14  1  0  0  0  0
 14 15  2  0  0  0  0
  6 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
  5 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
  6 22  1  6  0  0  0
  4 23  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0072587

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1(C)CCC[C@]2(C)[C@@H](\C=C\C3=CCOC3=O)C(=C)C[C@@H](O)[C@@H]12

> <INCHI_IDENTIFIER>
InChI=1S/C20H28O3/c1-13-12-16(21)17-19(2,3)9-5-10-20(17,4)15(13)7-6-14-8-11-23-18(14)22/h6-8,15-17,21H,1,5,9-12H2,2-4H3/b7-6+/t15-,16+,17-,20+/m0/s1

> <INCHI_KEY>
ALSRJBHEUPQISY-ITULZCSASA-N

> <FORMULA>
C20H28O3

> <MOLECULAR_WEIGHT>
316.441

> <EXACT_MASS>
316.203844762

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
51

> <JCHEM_AVERAGE_POLARIZABILITY>
36.23821164672973

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
3-[(E)-2-[(1S,4R,4aS,8aR)-4-hydroxy-5,5,8a-trimethyl-2-methylidene-decahydronaphthalen-1-yl]ethenyl]-2,5-dihydrofuran-2-one

> <ALOGPS_LOGP>
4.11

> <JCHEM_LOGP>
3.578121049666667

> <ALOGPS_LOGS>
-4.65

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.578520083207067

> <JCHEM_PKA_STRONGEST_BASIC>
-0.41241690157847877

> <JCHEM_POLAR_SURFACE_AREA>
46.53

> <JCHEM_REFRACTIVITY>
92.9879

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.06e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3-[(E)-2-[(1S,4R,4aS,8aR)-4-hydroxy-5,5,8a-trimethyl-2-methylidene-hexahydro-1H-naphthalen-1-yl]ethenyl]-5H-furan-2-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 28-APR-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   28-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      -2.667   0.000   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.000  -0.000   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -1.334   2.310   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.334   3.850   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -2.580   4.755   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -2.104   6.220   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      -0.564   6.220   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      -0.088   4.755   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       1.377   4.279   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       2.667  -0.000   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       3.390  -4.440   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       1.944  -4.440   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       1.334   0.770   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       0.000  -4.620   0.000  0.00  0.00           O+0
CONECT    1    2    3    7                                                  
CONECT    2    1                                                            
CONECT    3    1    4                                                       
CONECT    4    3    5   23                                                  
CONECT    5    4    6   19                                                  
CONECT    6    5    7   16   22                                             
CONECT    7    6    1    8                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   14                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   10   15                                                  
CONECT   15   14                                                            
CONECT   16    6   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18    5   20   21                                             
CONECT   20   19                                                            
CONECT   21   19                                                            
CONECT   22    6                                                            
CONECT   23    4                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   50    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₀H₂₈O₃

Average Mass

316.4410 Da

Monoisotopic Mass

316.20384 Da

IUPAC Name

3-[(E)-2-[(1S,4R,4aS,8aR)-4-hydroxy-5,5,8a-trimethyl-2-methylidene-decahydronaphthalen-1-yl]ethenyl]-2,5-dihydrofuran-2-one

Traditional Name

3-[(E)-2-[(1S,4R,4aS,8aR)-4-hydroxy-5,5,8a-trimethyl-2-methylidene-hexahydro-1H-naphthalen-1-yl]ethenyl]-5H-furan-2-one

CAS Registry Number

Not Available

SMILES

CC1(C)CCC[C@]2(C)[C@@H](\C=C\C3=CCOC3=O)C(=C)C[C@@H](O)[C@@H]12

InChI Identifier

InChI=1S/C20H28O3/c1-13-12-16(21)17-19(2,3)9-5-10-20(17,4)15(13)7-6-14-8-11-23-18(14)22/h6-8,15-17,21H,1,5,9-12H2,2-4H3/b7-6+/t15-,16+,17-,20+/m0/s1

InChI Key

ALSRJBHEUPQISY-ITULZCSASA-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
Hadychium yunnanense	-	KNApSAcK
Hedychium forrestii	Plant	KNApSAcK
Hedychium gardnerianum	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as diterpene lactones. These are diterpenoids containing a lactone moiety.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Terpene lactones

Direct Parent

Diterpene lactones

Alternative Parents

Substituents

Diterpene lactone
Diterpenoid
Clerodane diterpenoid
2-furanone
Cyclic alcohol
Dihydrofuran
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Carboxylic acid ester
Lactone
Secondary alcohol
Organoheterocyclic compound
Oxacycle
Carboxylic acid derivative
Monocarboxylic acid or derivatives
Hydrocarbon derivative
Organic oxide
Alcohol
Carbonyl group
Organooxygen compound
Organic oxygen compound
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic 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	4.11	ALOGPS
logP	3.58	ChemAxon
logS	-4.6	ALOGPS
pKa (Strongest Acidic)	13.58	ChemAxon
pKa (Strongest Basic)	-0.41	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	46.53 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	92.99 m³·mol⁻¹	ChemAxon
Polarizability	36.24 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

C00032543

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

101457894

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Kumrit I, Suksamrarn A, Meepawpan P, Songsri S, Nuntawong N: Labdane-type diterpenes from Hedychium gardnerianum with potent cytotoxicity against human small cell lung cancer cells. Phytother Res. 2010 Jul;24(7):1009-13. doi: 10.1002/ptr.3057. [PubMed:19960422 ]

Showing NP-Card for Yunnancoronarin B (NP0072587)

MOL for NP0072587 (Yunnancoronarin B)

3D MOL for NP0072587 (Yunnancoronarin B)

3D SDF for NP0072587 (Yunnancoronarin B)

3D-SDF for NP0072587 (Yunnancoronarin B)

PDB for NP0072587 (Yunnancoronarin B)

3D PDB for NP0072587 (Yunnancoronarin B)

SMILES for NP0072587 (Yunnancoronarin B)

INCHI for NP0072587 (Yunnancoronarin B)

Structure for NP0072587 (Yunnancoronarin B)

3D Structure for NP0072587 (Yunnancoronarin B)