NP-MRD: Showing NP-Card for Salvinolone (NP0077095)

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Record Information

Version

2.0

Created at

2022-04-28 22:15:44 UTC

Updated at

2022-04-28 22:15:44 UTC

NP-MRD ID

NP0077095

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Salvinolone

Description

Salvinolone belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. Salvinolone is found in Salvia bracteata Banks and Sol., Salvia candidissima, Salvia dichroantha, Salvia montbretii, Salvia prionitis and Salvia sclarea. Salvinolone was first documented in 2009 (PMID: 19475449). Based on a literature review a small amount of articles have been published on salvinolone (PMID: 21072573) (PMID: 21366034) (PMID: 30339925) (PMID: 29522496).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 49 51  0  0  0  0  0  0  0  0999 V2000
    4.9186    1.5809    0.9115 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6188    0.1543    0.4956 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2773   -0.0116   -0.8764 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1340   -0.0333    0.3562 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    1.0319    0.4129 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8943    0.8466    0.2717 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3199   -0.3747    0.0722 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082   -1.4501    0.0161 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6975   -2.7012   -0.1829 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5890   -1.2730    0.1568 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4192   -2.3773    0.0928 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1185   -0.5607   -0.0854 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3050   -1.2347   -1.4651 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7496   -1.5174    0.9113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1206   -1.8548    0.3985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9696   -0.7338   -0.0722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4159    0.6354   -0.0872 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.9866    1.4805    1.0667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8361    1.3527   -1.3553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9062    0.6733   -0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3497    1.8454    0.1916 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0824    2.0694    0.3467 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5762    3.2008    0.5274 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3154    1.8839    1.7790 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9875    1.5733    1.2489 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8704    2.2831    0.0575 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0793   -0.5938    1.1614 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2747   -0.4406   -0.7311 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6532   -0.6475   -1.5456 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3958    0.9952   -1.3698 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6781    2.0198    0.5703 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3245   -3.4918   -0.2259 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4099   -2.2479    0.1982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2116   -2.3333   -1.3975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4209   -0.9338   -2.1082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1808   -0.8857   -1.9962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7966   -1.0744    1.9277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2009   -2.4640    1.0106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6947   -2.4512    1.1723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9609   -2.5638   -0.4763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3491   -0.9967   -1.1146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9579   -0.7562    0.5180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9841    2.5277    0.7302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3830    1.4103    1.9668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0217    1.1392    1.1953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0842    2.4126   -1.1050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8396    0.9075   -1.6253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1264    1.2692   -2.1796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0234    2.7101    0.2362 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  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
 10 11  1  0
  7 12  1  0
 12 13  1  6
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  1
 17 19  1  0
 17 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 10  4  1  0
 20 12  1  0
 22  6  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
  2 27  1  1
  3 28  1  0
  3 29  1  0
  3 30  1  0
  5 31  1  0
  9 32  1  0
 11 33  1  0
 13 34  1  0
 13 35  1  0
 13 36  1  0
 14 37  1  0
 14 38  1  0
 15 39  1  0
 15 40  1  0
 16 41  1  0
 16 42  1  0
 18 43  1  0
 18 44  1  0
 18 45  1  0
 19 46  1  0
 19 47  1  0
 19 48  1  0
 21 49  1  0
M  END


  Mrv1652304292200152D          

 23 25  0  0  1  0            999 V2000
   -1.8414   -0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2539   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414   -1.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164   -1.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039   -2.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2211   -2.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6336   -2.9684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6336   -1.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2211   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039   -0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0164   -0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1914   -0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6336   -0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4586   -0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8711   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4586   -1.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6961   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1086   -0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1086   -1.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8711    0.6039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2211    0.6039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5411   -1.9767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8702   -2.3640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
  1 11  1  0  0  0  0
 10 12  1  1  0  0  0
  9 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
  8 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 14 20  1  0  0  0  0
 13 21  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0077095

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)C1=CC2=C(C(O)=C1O)[C@@]1(C)CCCC(C)(C)C1=CC2=O

> <INCHI_IDENTIFIER>
InChI=1S/C20H26O3/c1-11(2)12-9-13-14(21)10-15-19(3,4)7-6-8-20(15,5)16(13)18(23)17(12)22/h9-11,22-23H,6-8H2,1-5H3/t20-/m0/s1

> <INCHI_KEY>
NPADGWOASIJKSB-FQEVSTJZSA-N

> <FORMULA>
C20H26O3

> <MOLECULAR_WEIGHT>
314.425

> <EXACT_MASS>
314.188194697

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
49

> <JCHEM_AVERAGE_POLARIZABILITY>
36.01858853236482

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(4aS)-5,6-dihydroxy-1,1,4a-trimethyl-7-(propan-2-yl)-1,2,3,4,4a,9-hexahydrophenanthren-9-one

> <ALOGPS_LOGP>
4.79

> <JCHEM_LOGP>
4.759731796999999

> <ALOGPS_LOGS>
-4.22

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
11.75230842442591

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.329768528094984

> <JCHEM_PKA_STRONGEST_BASIC>
-6.39333763131511

> <JCHEM_POLAR_SURFACE_AREA>
57.53

> <JCHEM_REFRACTIVITY>
93.3018

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.90e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(4aS)-5,6-dihydroxy-7-isopropyl-1,1,4a-trimethyl-3,4-dihydro-2H-phenanthren-9-one

> <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      -3.437  -0.206   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -4.207  -1.540   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -3.437  -2.874   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.897  -2.874   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.127  -4.207   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.413  -4.207   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       1.183  -5.541   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       1.183  -2.874   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.413  -1.540   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.127  -1.540   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -1.897  -0.206   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -0.357  -0.206   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.183  -0.206   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.723  -0.206   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       3.493  -1.540   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.723  -2.874   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       5.033  -1.540   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       5.803  -0.206   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       5.803  -2.874   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       3.493   1.127   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0       0.413   1.127   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      -4.743  -3.690   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -3.491  -4.413   0.000  0.00  0.00           C+0
CONECT    1    2   11                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4   22   23                                             
CONECT    4    3    5   10                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9   16                                                  
CONECT    9    8   10   13                                                  
CONECT   10    9    4   11   12                                             
CONECT   11   10    1                                                       
CONECT   12   10                                                            
CONECT   13    9   14   21                                                  
CONECT   14   13   15   20                                                  
CONECT   15   14   16   17                                                  
CONECT   16   15    8                                                       
CONECT   17   15   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17                                                            
CONECT   20   14                                                            
CONECT   21   13                                                            
CONECT   22    3                                                            
CONECT   23    3                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   50    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₀H₂₆O₃

Average Mass

314.4250 Da

Monoisotopic Mass

314.18819 Da

IUPAC Name

(4aS)-5,6-dihydroxy-1,1,4a-trimethyl-7-(propan-2-yl)-1,2,3,4,4a,9-hexahydrophenanthren-9-one

Traditional Name

(4aS)-5,6-dihydroxy-7-isopropyl-1,1,4a-trimethyl-3,4-dihydro-2H-phenanthren-9-one

CAS Registry Number

Not Available

SMILES

CC(C)C1=CC2=C(C(O)=C1O)[C@@]1(C)CCCC(C)(C)C1=CC2=O

InChI Identifier

InChI=1S/C20H26O3/c1-11(2)12-9-13-14(21)10-15-19(3,4)7-6-8-20(15,5)16(13)18(23)17(12)22/h9-11,22-23H,6-8H2,1-5H3/t20-/m0/s1

InChI Key

NPADGWOASIJKSB-FQEVSTJZSA-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
Salvia bracteata Banks and Sol.	Plant	KNApSAcK
Salvia candidissima	LOTUS Database	35616633
Salvia dichroantha	LOTUS Database	35616633
Salvia montbretii	LOTUS Database	35616633
Salvia prionitis	LOTUS Database	35616633
Salvia sclarea	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

Abietane diterpenoid
Diterpenoid
Hydrophenanthrene
Phenanthrene
Naphthalene
Cumene
Aryl ketone
Phenol
1-hydroxy-4-unsubstituted benzenoid
Benzenoid
Ketone
Organooxygen compound
Organic oxygen compound
Hydrocarbon derivative
Organic oxide
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	4.79	ALOGPS
logP	4.76	ChemAxon
logS	-4.2	ALOGPS
pKa (Strongest Acidic)	8.33	ChemAxon
pKa (Strongest Basic)	-6.4	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	57.53 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	93.3 m³·mol⁻¹	ChemAxon
Polarizability	36.02 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

C00040204

Chemspider ID

9897890

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

11723174

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Kusumoto N, Ashitani T, Hayasaka Y, Murayama T, Ogiyama K, Takahashi K: Antitermitic activities of abietane-type diterpenes from Taxodium distichum cones. J Chem Ecol. 2009 Jun;35(6):635-42. doi: 10.1007/s10886-009-9646-0. Epub 2009 May 29. [PubMed:19475449 ]
Kusumoto N, Ashitani T, Murayama T, Ogiyama K, Takahashi K: Antifungal abietane-type diterpenes from the cones of Taxodium distichum Rich. J Chem Ecol. 2010 Dec;36(12):1381-6. doi: 10.1007/s10886-010-9875-2. Epub 2010 Oct 31. [PubMed:21072573 ]
Xu M, Shen L, Wang K, Du Q, Wang N: Bioactive diterpenes from Clerodendrum kaichianum. Nat Prod Commun. 2011 Jan;6(1):3-5. [PubMed:21366034 ]
Azad R, Babu NK, Gupta AD, Reddanna P: Evaluation of anti-inflammatory and immunomodulatory effects of Premna integrifolia extracts and assay-guided isolation of a COX-2/5-LOX dual inhibitor. Fitoterapia. 2018 Nov;131:189-199. doi: 10.1016/j.fitote.2018.10.016. Epub 2018 Oct 16. [PubMed:30339925 ]
Dang J, Cui Y, Pei J, Yue H, Liu Z, Wang W, Jiao L, Mei L, Wang Q, Tao Y, Shao Y: Efficient Separation of Four Antibacterial Diterpenes from the Roots of Salvia Prattii Using Non-Aqueous Hydrophilic Solid-Phase Extraction Followed by Preparative High-Performance Liquid Chromatography. Molecules. 2018 Mar 9;23(3). pii: molecules23030623. doi: 10.3390/molecules23030623. [PubMed:29522496 ]

Showing NP-Card for Salvinolone (NP0077095)

MOL for NP0077095 (Salvinolone)

3D MOL for NP0077095 (Salvinolone)

3D SDF for NP0077095 (Salvinolone)

3D-SDF for NP0077095 (Salvinolone)

PDB for NP0077095 (Salvinolone)

3D PDB for NP0077095 (Salvinolone)

SMILES for NP0077095 (Salvinolone)

INCHI for NP0077095 (Salvinolone)

Structure for NP0077095 (Salvinolone)

3D Structure for NP0077095 (Salvinolone)