NP-MRD: Showing NP-Card for Sempervirol (NP0077152)

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Record Information

Version

2.0

Created at

2022-04-28 22:18:25 UTC

Updated at

2022-04-28 22:18:25 UTC

NP-MRD ID

NP0077152

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Sempervirol

Description

Sempervirol belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. Sempervirol is found in Chamaecyparis formosensis, Cupressus sempervirens, Juniperus chinensis, Podocarpus neriifolius, Salvia multicaulis and Trogopterus xanthipes. Sempervirol was first documented in 2008 (PMID: 19043241). Based on a literature review a small amount of articles have been published on sempervirol (PMID: 21306129) (PMID: 29698860) (PMID: 25768432).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 51 53  0  0  0  0  0  0  0  0999 V2000
    3.9722    0.6505   -1.9638 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1057   -0.5416   -1.0429 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2974   -0.3248   -0.1217 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8624   -0.7910   -0.2835 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7289   -0.0180   -0.4318 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5514   -0.2562    0.2894 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5035   -1.2944    1.1839 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6485   -2.0859    1.3425 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8008   -1.8324    0.6193 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9488   -2.6144    0.7685 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7256   -1.5554    1.9608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9313   -1.3062    1.1301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8379   -0.2697    0.0844 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.1448    0.4886    0.0366 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5702    1.0482    1.3487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2046   -0.5491   -0.3669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0798    1.5738   -0.9855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9203    1.4856   -1.9136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5868    1.2695   -1.2884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6390    0.6099    0.0811 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5970    1.6957    1.0961 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2205    0.4221   -2.7435 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6886    1.5283   -1.3462 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9596    0.8350   -2.4485 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3733   -1.4085   -1.7039 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9729   -0.4038    0.9458 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1249   -1.0360   -0.3347 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7263    0.6900   -0.2323 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000    0.7930   -1.1418 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6086   -2.9055    2.0494 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9068   -3.3778    1.4287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7390   -2.6241    2.3135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7920   -0.9134    2.8690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1832   -2.2911    0.6312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7818   -1.1641    1.8389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7964   -0.7988   -0.9179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9248    0.8404    2.1953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6062    0.7174    1.6547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6671    2.1716    1.2859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7298   -1.3632   -0.9778 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0018   -0.0968   -0.9611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5812   -1.0616    0.5555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0019    1.4875   -1.6368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1837    2.6038   -0.5532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1510    0.6840   -2.6652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8867    2.4531   -2.4872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0301    0.5523   -1.9632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0172    2.2208   -1.2483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5813    1.3477    2.1491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3200    2.5203    0.9363 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4113    2.1950    0.9649 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  9  2  0
  9 10  1  0
  9  8  1  0
  8  7  2  0
  7 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  1
 14 16  1  0
 14 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  1
 20  6  1  0
  6  5  2  0
  5  4  1  0
  6  7  1  0
 20 13  1  0
  1 22  1  0
  1 23  1  0
  1 24  1  0
  2 25  1  6
  3 26  1  0
  3 27  1  0
  3 28  1  0
 10 31  1  0
  8 30  1  0
 11 32  1  0
 11 33  1  0
 12 34  1  0
 12 35  1  0
 13 36  1  6
 15 37  1  0
 15 38  1  0
 15 39  1  0
 16 40  1  0
 16 41  1  0
 16 42  1  0
 17 43  1  0
 17 44  1  0
 18 45  1  0
 18 46  1  0
 19 47  1  0
 19 48  1  0
 21 49  1  0
 21 50  1  0
 21 51  1  0
  5 29  1  0
M  END


  Mrv1652304292200182D          

 21 23  0  0  1  0            999 V2000
    2.7770   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7770    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6020    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6020   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0145   -1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8395   -1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6020   -1.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8395    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270    1.1270    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5395    0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1270   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3977    1.5642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2732    1.9515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -0.3020    0.0000 C   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
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  5 10  1  0  0  0  0
  3 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 12  1  6  0  0  0
 13 14  1  0  0  0  0
  2 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 14 21  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0077152

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)C1=C(O)C=C2CC[C@H]3C(C)(C)CCC[C@]3(C)C2=C1

> <INCHI_IDENTIFIER>
InChI=1S/C20H30O/c1-13(2)15-12-16-14(11-17(15)21)7-8-18-19(3,4)9-6-10-20(16,18)5/h11-13,18,21H,6-10H2,1-5H3/t18-,20+/m0/s1

> <INCHI_KEY>
RSIJAQZNHHXEJZ-AZUAARDMSA-N

> <FORMULA>
C20H30O

> <MOLECULAR_WEIGHT>
286.459

> <EXACT_MASS>
286.229665586

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
51

> <JCHEM_AVERAGE_POLARIZABILITY>
35.527162371936285

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(4bS,8aS)-4b,8,8-trimethyl-3-(propan-2-yl)-4b,5,6,7,8,8a,9,10-octahydrophenanthren-2-ol

> <ALOGPS_LOGP>
6.61

> <JCHEM_LOGP>
6.253506807333332

> <ALOGPS_LOGS>
-5.76

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.751181107820043

> <JCHEM_PKA_STRONGEST_BASIC>
-5.205941485911475

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
89.7077

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.02e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(4bS,8aS)-3-isopropyl-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-2-ol

> <JCHEM_VEBER_RULE>
1

$$$$

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       5.184  -0.564   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       4.414   0.770   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       5.184   2.104   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       6.724   2.104   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       7.494   0.770   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       6.724  -0.564   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       7.494  -1.897   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       9.034  -1.897   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       6.724  -3.231   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       9.034   0.770   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       4.414   3.437   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.874   3.437   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.104   2.104   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.874   0.770   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.104  -0.564   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       0.564  -0.564   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -0.206   0.770   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       0.564   2.104   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -0.742   2.920   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       0.510   3.643   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       3.644  -0.564   0.000  0.00  0.00           C+0
CONECT    1    2    6                                                       
CONECT    2    1    3   14                                                  
CONECT    3    2    4   11                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   10                                                  
CONECT    6    5    1    7                                                  
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7                                                            
CONECT   10    5                                                            
CONECT   11    3   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14   18                                                  
CONECT   14   13    2   15   21                                             
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   13   19   20                                             
CONECT   19   18                                                            
CONECT   20   18                                                            
CONECT   21   14                                                            
MASTER        0    0    0    0    0    0    0    0   21    0   46    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₀H₃₀O

Average Mass

286.4590 Da

Monoisotopic Mass

286.22967 Da

IUPAC Name

(4bS,8aS)-4b,8,8-trimethyl-3-(propan-2-yl)-4b,5,6,7,8,8a,9,10-octahydrophenanthren-2-ol

Traditional Name

(4bS,8aS)-3-isopropyl-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-2-ol

CAS Registry Number

Not Available

SMILES

CC(C)C1=C(O)C=C2CC[C@H]3C(C)(C)CCC[C@]3(C)C2=C1

InChI Identifier

InChI=1S/C20H30O/c1-13(2)15-12-16-14(11-17(15)21)7-8-18-19(3,4)9-6-10-20(16,18)5/h11-13,18,21H,6-10H2,1-5H3/t18-,20+/m0/s1

InChI Key

RSIJAQZNHHXEJZ-AZUAARDMSA-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
Chamaecyparis formosensis	Plant	KNApSAcK
Cupressus sempervirens	LOTUS Database	35616633
Juniperus chinensis	LOTUS Database	35616633
Podocarpus neriifolius	LOTUS Database	35616633
Salvia multicaulis	LOTUS Database	35616633
Trogopterus xanthipes	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Diterpenoids

Direct Parent

Diterpenoids

Alternative Parents

Substituents

Diterpenoid
Phenanthrene
Hydrophenanthrene
Tetralin
Cumene
1-hydroxy-2-unsubstituted benzenoid
Phenol
Benzenoid
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
Aromatic homopolycyclic compound

Molecular Framework

Aromatic homopolycyclic 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	6.61	ALOGPS
logP	6.25	ChemAxon
logS	-5.8	ALOGPS
pKa (Strongest Acidic)	10.75	ChemAxon
pKa (Strongest Basic)	-5.2	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	1	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	20.23 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	89.71 m³·mol⁻¹	ChemAxon
Polarizability	35.53 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	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

C00040276

Chemspider ID

24673212

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

12442761

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Devkota KP, Ratnayake R, Colburn NH, Wilson JA, Henrich CJ, McMahon JB, Beutler JA: Inhibitors of the oncogenic transcription factor AP-1 from Podocarpus latifolius. J Nat Prod. 2011 Mar 25;74(3):374-7. doi: 10.1021/np100736y. Epub 2011 Feb 9. [PubMed:21306129 ]
Crusco A, Bordoni C, Chakroborty A, Whatley KCL, Whiteland H, Westwell AD, Hoffmann KF: Design, synthesis and anthelmintic activity of 7-keto-sempervirol analogues. Eur J Med Chem. 2018 May 25;152:87-100. doi: 10.1016/j.ejmech.2018.04.032. Epub 2018 Apr 17. [PubMed:29698860 ]
Edwards J, Brown M, Peak E, Bartholomew B, Nash RJ, Hoffmann KF: The diterpenoid 7-keto-sempervirol, derived from Lycium chinense, displays anthelmintic activity against both Schistosoma mansoni and Fasciola hepatica. PLoS Negl Trop Dis. 2015 Mar 13;9(3):e0003604. doi: 10.1371/journal.pntd.0003604. eCollection 2015 Mar. [PubMed:25768432 ]
Sato K, Sugawara K, Takeuchi H, Park HS, Akiyama T, Koyama T, Aoyagi Y, Takeya K, Tsugane T, Shimura S: Antibacterial novel phenolic diterpenes from Podocarpus macrophyllus D. Don. Chem Pharm Bull (Tokyo). 2008 Dec;56(12):1691-7. doi: 10.1248/cpb.56.1691. [PubMed:19043241 ]

Showing NP-Card for Sempervirol (NP0077152)

MOL for NP0077152 (Sempervirol)

3D MOL for NP0077152 (Sempervirol)

3D SDF for NP0077152 (Sempervirol)

3D-SDF for NP0077152 (Sempervirol)

PDB for NP0077152 (Sempervirol)

3D PDB for NP0077152 (Sempervirol)

SMILES for NP0077152 (Sempervirol)

INCHI for NP0077152 (Sempervirol)

Structure for NP0077152 (Sempervirol)

3D Structure for NP0077152 (Sempervirol)