NP-MRD: Showing NP-Card for abietane (NP0184361)

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Record Information

Version

2.0

Created at

2022-09-03 23:28:14 UTC

Updated at

2022-09-03 23:28:14 UTC

NP-MRD ID

NP0184361

Secondary Accession Numbers

None

Natural Product Identification

Common Name

abietane

Description

Abietane belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. abietane is found in Croton tricolor. abietane was first documented in 2022 (PMID: 35944737). Based on a literature review a small amount of articles have been published on abietane (PMID: 35970438) (PMID: 36008399) (PMID: 35975755) (PMID: 35969814).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 56 58  0  0  0  0  0  0  0  0999 V2000
    5.4257    0.8730   -0.6759 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4883    0.1162    0.2130 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4971   -1.3588   -0.0146 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0674    0.6867    0.1658 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5360    0.6172   -1.2298 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0982    1.1503   -1.1873 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3049    0.1894   -0.3676 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7917    0.0791    1.0416 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1338   -1.1577    1.6504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3736   -1.0395    1.6381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8669   -0.7096    0.2524 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.3511   -0.6414    0.1953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9795    0.3213    1.1382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8831   -2.0366    0.5501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8243   -0.3449   -1.1964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1397    0.8119   -1.8440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6329    0.6731   -1.7565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1691    0.4873   -0.3393 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3821    1.7481    0.4332 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2641   -0.0635    1.1733 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4667    0.6092   -0.3492 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3112    1.9439   -0.5131 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3670    0.5607   -1.7390 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8319    0.2975    1.2725 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3017   -1.6820   -0.7188 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6664   -1.9255    0.9331 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5487   -1.7404   -0.4676 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1410    1.7620    0.4432 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1732    1.2024   -1.8911 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4357   -0.4422   -1.5822 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1598    2.1625   -0.7898 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7374    1.1125   -2.2312 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4242   -0.8235   -0.8361 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4624    0.9311    1.6860 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5059   -1.2664    2.6691 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4971   -2.0272    1.0626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7585   -2.0777    1.8615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6555   -0.3179    2.4021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5575   -1.5860   -0.3926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0269    1.3738    0.7330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5877    0.2919    2.1680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0680    0.0296    1.2310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7805   -2.2375    1.6347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3680   -2.7562   -0.0945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9897   -2.0525    0.3527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7750   -1.2513   -1.8647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9169   -0.1075   -1.1262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5056    1.7653   -1.4378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4096    0.7986   -2.9272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2225    1.6639   -2.1113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3383   -0.1496   -2.4252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7079    1.6095    1.4681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0636    2.4321   -0.1525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4170    2.3327    0.4931 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5725    0.3181    2.1912 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5408   -1.1557    1.2083 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  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 12 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  1
  8 20  1  0
 20  4  1  0
 18  7  1  0
 18 11  1  0
  1 21  1  0
  1 22  1  0
  1 23  1  0
  2 24  1  0
  3 25  1  0
  3 26  1  0
  3 27  1  0
  4 28  1  1
  5 29  1  0
  5 30  1  0
  6 31  1  0
  6 32  1  0
  7 33  1  6
  8 34  1  1
  9 35  1  0
  9 36  1  0
 10 37  1  0
 10 38  1  0
 11 39  1  6
 13 40  1  0
 13 41  1  0
 13 42  1  0
 14 43  1  0
 14 44  1  0
 14 45  1  0
 15 46  1  0
 15 47  1  0
 16 48  1  0
 16 49  1  0
 17 50  1  0
 17 51  1  0
 19 52  1  0
 19 53  1  0
 19 54  1  0
 20 55  1  0
 20 56  1  0
M  END


  Mrv1652309042201282D          

 20 22  0  0  1  0            999 V2000
    5.2520   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8395    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    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  1  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
    2.7770    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7770   -0.3020    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3645   -1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -0.3020    0.0000 C   0  0  1  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
    0.4452   -1.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4733   -0.5841    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
    1.1270    1.1270    0.0000 C   0  0  0  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
    1.9520    1.1270    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
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  6  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  1  0  0  0
  7  8  1  0  0  0  0
  8  9  1  6  0  0  0
  9 10  1  0  0  0  0
 11 10  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 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
  7 18  1  0  0  0  0
 11 18  1  0  0  0  0
 18 19  1  1  0  0  0
  8 20  1  0  0  0  0
  4 20  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0184361

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)[C@H]1CC[C@H]2[C@@H](CC[C@H]3C(C)(C)CCC[C@]23C)C1

> <INCHI_IDENTIFIER>
InChI=1S/C20H36/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h14-18H,6-13H2,1-5H3/t15-,16-,17-,18-,20+/m0/s1

> <INCHI_KEY>
STIVVCHBLMGYSL-ZYNAIFEFSA-N

> <FORMULA>
C20H36

> <MOLECULAR_WEIGHT>
276.508

> <EXACT_MASS>
276.281701159

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
56

> <JCHEM_AVERAGE_POLARIZABILITY>
36.534416991914235

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(4aR,4bS,7S,8aS,10aS)-1,1,4a-trimethyl-7-(propan-2-yl)-tetradecahydrophenanthrene

> <JCHEM_LOGP>
6.572031424

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
87.79699999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
abietane

> <JCHEM_VEBER_RULE>
1

$$$$

HEADER    PROTEIN                                 04-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-22         0                                  
HETATM    1  C   UNK     0       9.804  -0.564   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       9.034   0.770   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       9.804   2.104   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       7.494   0.770   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       6.724   2.104   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       5.184   2.104   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       4.414   0.770   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       5.184  -0.564   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.414  -1.897   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.874  -1.897   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.104  -0.564   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       0.564  -0.564   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.831  -2.080   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -0.883  -1.090   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -0.206   0.770   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       0.564   2.104   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.104   2.104   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       2.874   0.770   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       3.644   2.104   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       6.724  -0.564   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5   20                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8   18                                                  
CONECT    8    7    9   20                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   18                                                  
CONECT   12   11   13   14   15                                             
CONECT   13   12                                                            
CONECT   14   12                                                            
CONECT   15   12   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17    7   11   19                                             
CONECT   19   18                                                            
CONECT   20    8    4                                                       
MASTER        0    0    0    0    0    0    0    0   20    0   44    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₀H₃₆

Average Mass

276.5080 Da

Monoisotopic Mass

276.28170 Da

IUPAC Name

(4aR,4bS,7S,8aS,10aS)-1,1,4a-trimethyl-7-(propan-2-yl)-tetradecahydrophenanthrene

Traditional Name

abietane

CAS Registry Number

Not Available

SMILES

CC(C)[C@H]1CC[C@H]2[C@@H](CC[C@H]3C(C)(C)CCC[C@]23C)C1

InChI Identifier

InChI=1S/C20H36/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h14-18H,6-13H2,1-5H3/t15-,16-,17-,18-,20+/m0/s1

InChI Key

STIVVCHBLMGYSL-ZYNAIFEFSA-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

Species Name	Source	Reference
Croton tricolor	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
Abietane diterpenoid
Phenanthrene
Hydrophenanthrene
Polycyclic hydrocarbon
Saturated hydrocarbon
Hydrocarbon
Aliphatic homopolycyclic compound

Molecular Framework

Aliphatic homopolycyclic compounds

External Descriptors

diterpene (CHEBI:35673 )
terpenoid fundamental parent (CHEBI:35673 )

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	6.57	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	0	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	0 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	87.8 m³·mol⁻¹	ChemAxon
Polarizability	36.53 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

C00034167

Chemspider ID

5256821

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Abietane

METLIN ID

Not Available

PubChem Compound

6857485

PDB ID

Not Available

ChEBI ID

35673

Good Scents ID

Not Available

References

General References

Zhao H, Sun L, Kong C, Mei W, Dai H, Xu F, Huang S: Phytochemical and pharmacological review of diterpenoids from the genus Euphorbia Linn (2012-2021). J Ethnopharmacol. 2022 Nov 15;298:115574. doi: 10.1016/j.jep.2022.115574. Epub 2022 Aug 6. [PubMed:35944737 ]
Jiang W, Zhao ZY, Tong YP, Ma GL, Zang Y, Osman EEA, Jin ZX, Xiong J, Li J, Hu JF: Phytochemical and biological studies on rare and endangered plants endemic to China. Part XXV. Structurally diverse triterpenoids and diterpenoids from two endangered Pinaceae plants endemic to the Chinese Qinling Mountains and their bioactivities. Phytochemistry. 2022 Nov;203:113366. doi: 10.1016/j.phytochem.2022.113366. Epub 2022 Aug 12. [PubMed:35970438 ]
Hansen NL, Kjaerulff L, Heck QK, Forman V, Staerk D, Moller BL, Andersen-Ranberg J: Tripterygium wilfordii cytochrome P450s catalyze the methyl shift and epoxidations in the biosynthesis of triptonide. Nat Commun. 2022 Aug 25;13(1):5011. doi: 10.1038/s41467-022-32667-5. [PubMed:36008399 ]
Tretyakova EV, Ma X, Kazakova OB, Shtro AA, Petukhova GD, Smirnova AA, Xu H, Xiao S: Abietic, maleopimaric and quinopimaric dipeptide Ugi-4CR derivatives and their potency against influenza A and SARS-CoV-2. Nat Prod Res. 2023 Jun;37(12):1954-1960. doi: 10.1080/14786419.2022.2112040. Epub 2022 Aug 17. [PubMed:35975755 ]
Gonzalez-Cardenete MA, Hamulic D, Miquel-Leal FJ, Gonzalez-Zapata N, Jimenez-Jarava OJ, Brand YM, Restrepo-Mendez LC, Martinez-Gutierrez M, Betancur-Galvis LA, Marin ML: Antiviral Profiling of C-18- or C-19-Functionalized Semisynthetic Abietane Diterpenoids. J Nat Prod. 2022 Aug 26;85(8):2044-2051. doi: 10.1021/acs.jnatprod.2c00464. Epub 2022 Aug 15. [PubMed:35969814 ]
LOTUS database [Link]

Showing NP-Card for abietane (NP0184361)

MOL for NP0184361 (abietane)

3D MOL for NP0184361 (abietane)

3D SDF for NP0184361 (abietane)

3D-SDF for NP0184361 (abietane)

PDB for NP0184361 (abietane)

3D PDB for NP0184361 (abietane)

SMILES for NP0184361 (abietane)

INCHI for NP0184361 (abietane)

Structure for NP0184361 (abietane)

3D Structure for NP0184361 (abietane)