NP-MRD: Showing NP-Card for abietatriene (NP0280244)

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Record Information

Version

2.0

Created at

2022-09-09 05:55:22 UTC

Updated at

2022-09-09 05:55:22 UTC

NP-MRD ID

NP0280244

Secondary Accession Numbers

None

Natural Product Identification

Common Name

abietatriene

Description

Abietatriene, also known as dehydroabietane, belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. abietatriene is found in Bellis perennis, Calceolaria integrifolia, Chamaecyparis formosensis, Chamaecyparis obtusa, Chamaecyparis pisifera, Cryptomeria japonica, Cupressus sempervirens, Mesosphaerum suaveolens, Juniperus brevifolia, Larix gmelinii, Larix gmelinii, Larix kaempferi, Picea koraiensis, Picea orientalis, Pinus brutia, Pinus densiflora, Pinus nigra, Pinus sibirica, Prumnopitys andina, Salvia limbata, Salvia phlomoides, Sideritis candicans, Sideritis lotsyi, Thuja occidentalis, Thuja standishii, Thujopsis dolabrata, Tripterygium wilfordii and Vitex agnus-castus. abietatriene was first documented in 2013 (PMID: 24555296). Based on a literature review a small amount of articles have been published on abietatriene (PMID: 23607420) (PMID: 24108414) (PMID: 24823881).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 50 52  0  0  0  0  0  0  0  0999 V2000
    4.6769   -2.0175    0.6494 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5784   -0.8029   -0.2494 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3440    0.3162    0.4169 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1613   -0.4438   -0.4330 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5838   -0.4030   -1.6827 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2549   -0.0643   -1.8318 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5376    0.2267   -0.7090 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0643    0.2028    0.5783 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3944   -0.1397    0.6904 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3134    0.5105    1.7869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1576    0.6392    1.6243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5871   -0.0976    0.3528 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.0456   -0.2929    0.2543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4110   -1.6663    0.8506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8420    0.6971    1.1183 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6316   -0.2663   -1.1043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9646    0.6221   -2.0887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4985    0.2865   -2.1268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9232    0.6078   -0.7735 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9191    2.1185   -0.6358 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7600   -2.6116    0.5928 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8741   -1.6937    1.7006 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5199   -2.6396    0.2922 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0347   -1.0109   -1.2213 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1734   -0.1458    0.9864 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8056    1.0146   -0.3179 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6696    0.8875    1.0893 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1504   -0.6343   -2.5850 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7770   -0.0247   -2.8013 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8428   -0.1704    1.6715 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7016    1.4609    2.2366 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5140   -0.2862    2.5408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7217    0.1498    2.4691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4717    1.6874    1.6261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0947   -1.1114    0.4431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0743   -2.3993    0.0600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5068   -1.7870    0.9170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8682   -1.8667    1.7740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4368    1.7054    1.0798 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7885    0.3363    2.1873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9106    0.6376    0.8434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6552   -1.3058   -1.5434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7059    0.0301   -1.0421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1736    1.6877   -1.9030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3946    0.3981   -3.0970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3997   -0.7802   -2.3382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164    0.9452   -2.8682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9096    2.5590   -0.5606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2260    2.4383    0.1969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3975    2.4966   -1.5646 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 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 13 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  1
  8  9  2  0
  9  4  1  0
 19  7  1  0
 19 12  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
  5 28  1  0
  6 29  1  0
 10 31  1  0
 10 32  1  0
 11 33  1  0
 11 34  1  0
 12 35  1  1
 14 36  1  0
 14 37  1  0
 14 38  1  0
 15 39  1  0
 15 40  1  0
 15 41  1  0
 16 42  1  0
 16 43  1  0
 17 44  1  0
 17 45  1  0
 18 46  1  0
 18 47  1  0
 20 48  1  0
 20 49  1  0
 20 50  1  0
  9 30  1  0
M  END


  Mrv1652309092207552D          

 20 22  0  0  1  0            999 V2000
    5.2520    1.1270    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   -0.3020    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    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  0  0  0  0  0  0  0  0  0  0
    2.7770   -0.3020    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
    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
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  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
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  4  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  1  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 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
  7 19  1  0  0  0  0
 12 19  1  0  0  0  0
 19 20  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0280244

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)C1=CC=C2C(CC[C@H]3C(C)(C)CCC[C@]23C)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+/m0/s1

> <INCHI_KEY>
QUUCYKKMFLJLFS-AZUAARDMSA-N

> <FORMULA>
C20H30

> <MOLECULAR_WEIGHT>
270.46

> <EXACT_MASS>
270.234750966

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
50

> <JCHEM_AVERAGE_POLARIZABILITY>
34.84296064151721

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(4aS,10aS)-1,1,4a-trimethyl-7-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene

> <JCHEM_LOGP>
6.557072129

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
87.7268

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(4aS,10aS)-7-isopropyl-1,1,4a-trimethyl-2,3,4,9,10,10a-hexahydrophenanthrene

> <JCHEM_VEBER_RULE>
1

$$$$

HEADER    PROTEIN                                 09-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   09-SEP-22         0                                  
HETATM    1  C   UNK     0       9.804   2.104   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  -0.564   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       6.724  -0.564   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.414  -1.897   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.874  -1.897   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.104  -0.564   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.564  -0.564   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.831  -2.080   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -0.883  -1.090   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -0.206   0.770   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       0.564   2.104   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       2.104   2.104   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.874   0.770   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       3.644   2.104   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5    9                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8   19                                                  
CONECT    8    7    9   10                                                  
CONECT    9    8    4                                                       
CONECT   10    8   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   19                                                  
CONECT   13   12   14   15   16                                             
CONECT   14   13                                                            
CONECT   15   13                                                            
CONECT   16   13   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18    7   12   20                                             
CONECT   20   19                                                            
MASTER        0    0    0    0    0    0    0    0   20    0   44    0
END

View in JSmol

Synonyms

Value	Source
Abieta-8,11,13-triene	ChEBI
Dehydroabietane	ChEBI
Ar-abietatriene	MeSH

Chemical Formula

C₂₀H₃₀

Average Mass

270.4600 Da

Monoisotopic Mass

270.23475 Da

IUPAC Name

(4aS,10aS)-1,1,4a-trimethyl-7-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene

Traditional Name

(4aS,10aS)-7-isopropyl-1,1,4a-trimethyl-2,3,4,9,10,10a-hexahydrophenanthrene

CAS Registry Number

Not Available

SMILES

CC(C)C1=CC=C2C(CC[C@H]3C(C)(C)CCC[C@]23C)=C1

InChI Identifier

InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+/m0/s1

InChI Key

QUUCYKKMFLJLFS-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, 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
Bellis perennis	LOTUS Database	35616633
Calceolaria integrifolia	LOTUS Database	35616633
Chamaecyparis formosensis	LOTUS Database	35616633
Chamaecyparis obtusa	LOTUS Database	35616633
Chamaecyparis pisifera	LOTUS Database	35616633
Cryptomeria japonica	LOTUS Database	35616633
Cupressus sempervirens	LOTUS Database	35616633
Hyptis suaveolens	LOTUS Database	35616633
Juniperus brevifolia	LOTUS Database	35616633
Larix gmelini	LOTUS Database	35616633
Larix gmelinii var. olgensis	LOTUS Database	35616633
Larix kaempferi	LOTUS Database	35616633
Picea koraiensis	LOTUS Database	35616633
Picea orientalis	LOTUS Database	35616633
Pinus brutia	LOTUS Database	35616633
Pinus densiflora	LOTUS Database	35616633
Pinus nigra	LOTUS Database	35616633
Pinus sibirica	LOTUS Database	35616633
Prumnopitys andina	LOTUS Database	35616633
Salvia limbata	LOTUS Database	35616633
Salvia phlomoides	LOTUS Database	35616633
Sideritis candicans	LOTUS Database	35616633
Sideritis lotsyi	LOTUS Database	35616633
Thuja occidentalis	LOTUS Database	35616633
Thuja standishii	LOTUS Database	35616633
Thujopsis dolabrata	LOTUS Database	35616633
Tripterygium wilfordii	LOTUS Database	35616633
Vitex agnus-castus	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
Tetralin
Benzenoid
Aromatic hydrocarbon
Polycyclic hydrocarbon
Unsaturated hydrocarbon
Hydrocarbon
Aromatic homopolycyclic compound

Molecular Framework

Aromatic homopolycyclic compounds

External Descriptors

diterpene (CHEBI:86062 )

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	6.56	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	87.73 m³·mol⁻¹	ChemAxon
Polarizability	34.84 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

C00035987

Chemspider ID

4937470

KEGG Compound ID

Not Available

BioCyc ID

CPD-8721

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

6432211

PDB ID

Not Available

ChEBI ID

86062

Good Scents ID

Not Available

References

General References

Murugan R, Mallavarapu GR, Sudha V, Brindha P: Pogostemon hirsutus oil, rich in abietane diterpenes. Nat Prod Commun. 2013 Dec;8(12):1771-2. [PubMed:24555296 ]
Munoz E, Avila JG, Alarcon J, Kubo I, Werner E, Cespedes CL: Tyrosinase inhibitors from Calceolaria integrifolia s.l.: Calceolaria talcana aerial parts. J Agric Food Chem. 2013 May 8;61(18):4336-43. doi: 10.1021/jf400531h. Epub 2013 Apr 30. [PubMed:23607420 ]
Zi J, Peters RJ: Characterization of CYP76AH4 clarifies phenolic diterpenoid biosynthesis in the Lamiaceae. Org Biomol Chem. 2013 Nov 28;11(44):7650-2. doi: 10.1039/c3ob41885e. Epub 2013 Oct 10. [PubMed:24108414 ]
Mothana RA, Al-Said MS, Al-Musayeib NM, El Gamal AA, Al-Massarani SM, Al-Rehaily AJ, Abdulkader M, Maes L: In vitro antiprotozoal activity of abietane diterpenoids isolated from Plectranthus barbatus Andr. Int J Mol Sci. 2014 May 12;15(5):8360-71. doi: 10.3390/ijms15058360. [PubMed:24823881 ]
LOTUS database [Link]

Showing NP-Card for abietatriene (NP0280244)

MOL for NP0280244 (abietatriene)

3D MOL for NP0280244 (abietatriene)

3D SDF for NP0280244 (abietatriene)

3D-SDF for NP0280244 (abietatriene)

PDB for NP0280244 (abietatriene)

3D PDB for NP0280244 (abietatriene)

SMILES for NP0280244 (abietatriene)

INCHI for NP0280244 (abietatriene)

Structure for NP0280244 (abietatriene)

3D Structure for NP0280244 (abietatriene)