NP-MRD: Showing NP-Card for 2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-1-benzopyran-6-ol (NP0207046)

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Record Information

Version

2.0

Created at

2022-09-05 03:30:08 UTC

Updated at

2022-09-05 03:30:09 UTC

NP-MRD ID

NP0207046

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-1-benzopyran-6-ol

Description

Gamma-Tocopherol, also known as vitaplus e or DL-alpha-tocopherol, belongs to the class of organic compounds known as tocopherols. These are vitamin E derivatives containing a saturated trimethyltridecyl chain attached to the carbon C6 atom of a benzopyran ring system. The differ from tocotrienols that contain an unsaturated trimethyltrideca-3,7,11-trien-1-yl chain. Gamma-Tocopherol is an extremely weak basic (essentially neutral) compound (based on its pKa). Outside of the human body, gamma-Tocopherol is found, on average, in the highest concentration within a few different foods, such as roselles, common walnuts, and cooking oils and in a lower concentration in margarines, banana, and pecan nuts. Gamma-Tocopherol has also been detected, but not quantified in, several different foods, such as fruit juices, mandarin orange (clementine, tangerine), oil palms, oats, and cardamoms. This could make gamma-tocopherol a potential biomarker for the consumption of these foods. Gamma-Tocopherol is a collective name for a group of closely related lipids that contain substitutions on the 2H-1-benzopyran-6-ol nucleus and a long hydrocarbon chain of isoprenoid units. Gamma-Tocopherol react with the most reactive form of oxygen and protect unsaturated fatty acids from oxidation. 2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-1-benzopyran-6-ol is found in Calea jamaicensis, Croton cortesianus, Schefflera taiwaniana, Hippophae rhamnoides, Piper guineense, Silybum marianum, Vitex negundo and Walsura yunnanensis. They are antioxidants by virtue of the phenolic hydrogen.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv0541 02231219102D          

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M  END

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M  END


  Mrv0541 02231219102D          

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 26 29  1  0  0  0  0
 27 30  1  0  0  0  0
 28 30  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0207046

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)CCCC(C)CCCC(C)CCCC1(C)CCC2=CC(O)=C(C)C(C)=C2O1

> <INCHI_IDENTIFIER>
InChI=1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-19-26(29)23(5)24(6)27(25)30-28/h19-22,29H,8-18H2,1-7H3

> <INCHI_KEY>
QUEDXNHFTDJVIY-UHFFFAOYSA-N

> <FORMULA>
C28H48O2

> <MOLECULAR_WEIGHT>
416.6795

> <EXACT_MASS>
416.36543078

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
54.12877250302162

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-ol

> <ALOGPS_LOGP>
8.81

> <JCHEM_LOGP>
9.994295870666667

> <ALOGPS_LOGS>
-7.75

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.47046049456729

> <JCHEM_PKA_STRONGEST_BASIC>
-4.852416276824937

> <JCHEM_POLAR_SURFACE_AREA>
29.46

> <JCHEM_REFRACTIVITY>
130.33289999999994

> <JCHEM_ROTATABLE_BOND_COUNT>
12

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
7.37e-06 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-1-benzopyran-6-ol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  C   UNK     0      31.311 -16.223   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      29.977 -13.913   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      24.642 -13.913   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      19.308 -13.913   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      22.800 -22.741   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      21.260 -20.073   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      15.307 -19.303   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      27.310 -15.453   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      21.975 -15.453   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      17.974 -17.763   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      28.644 -16.223   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      25.976 -16.223   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      23.309 -16.223   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      20.641 -16.223   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      17.974 -16.223   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      16.640 -22.741   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      16.640 -18.533   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      15.870 -21.407   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      18.950 -24.074   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      29.977 -15.453   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      24.642 -15.453   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      19.308 -15.453   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      21.260 -22.741   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      20.490 -21.407   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      18.180 -22.741   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      20.490 -24.074   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      18.950 -21.407   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      16.640 -20.073   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      21.260 -25.408   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      18.180 -20.073   0.000  0.00  0.00           O+0
CONECT    1   20                                                            
CONECT    2   20                                                            
CONECT    3   21                                                            
CONECT    4   22                                                            
CONECT    5   23                                                            
CONECT    6   24                                                            
CONECT    7   28                                                            
CONECT    8   11   12                                                       
CONECT    9   13   14                                                       
CONECT   10   15   17                                                       
CONECT   11    8   20                                                       
CONECT   12    8   21                                                       
CONECT   13    9   21                                                       
CONECT   14    9   22                                                       
CONECT   15   10   22                                                       
CONECT   16   18   25                                                       
CONECT   17   10   28                                                       
CONECT   18   16   28                                                       
CONECT   19   25   26                                                       
CONECT   20    1    2   11                                                  
CONECT   21    3   12   13                                                  
CONECT   22    4   14   15                                                  
CONECT   23    5   26   24                                                  
CONECT   24    6   23   27                                                  
CONECT   25   16   19   27                                                  
CONECT   26   19   23   29                                                  
CONECT   27   24   25   30                                                  
CONECT   28    7   17   18   30                                             
CONECT   29   26                                                            
CONECT   30   27   28                                                       
MASTER        0    0    0    0    0    0    0    0   30    0   62    0
END

View in JSmol

Synonyms

Value	Source
DL-alpha-Tocopherol	Kegg
DL-a-Tocopherol	Generator
DL-Α-tocopherol	Generator
g-Tocopherol	Generator
Γ-tocopherol	Generator
3,4-Dihydro-2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-ol	HMDB
7,8-Dimethyltocol	HMDB
7,8-Dimethyltocolo-xylotocopherol	HMDB
Methyltocols	HMDB
O-Xylotocopherol	HMDB
Tocopherol	HMDB
Tocopherols	HMDB
Vitamin e gamma	HMDB
Bioweyxin	HMDB
e-Mulsin	HMDB
Embial	HMDB
GNR-Pharma brand OF tocopherol actetate	HMDB
Organon brand OF tocopherol acetate	HMDB
Schwarzhaupt brand OF tocopherol acetate	HMDB
Snow-e muscle, energy and feritility	HMDB
Spondyvit	HMDB
Tocolion	HMDB
Tocopherol rodisma-med brand	HMDB
Tocopherol worwag brand	HMDB
Togasan vitamin e	HMDB
Unique e	HMDB
Vibolex	HMDB
Vita-e	HMDB
Vitamin e dragees	HMDB
Atarost brand OF tocopherol acetate	HMDB
Biocur brand OF tocopherol acetate	HMDB
Cambridge laboratories brand OF tocopherol actetate	HMDB
Dal e	HMDB
Detulin	HMDB
e Vitamin e	HMDB
EVI-mirale, vitamin-e	HMDB
Elex verla	HMDB
Eplonat	HMDB
Richelet brand OF tocopherol acetate	HMDB
Roche nicholas brand OF tocopherol acetate	HMDB
Rodisma med brand OF tocopherol	HMDB
Sciencex brand OF tocopherol acetate	HMDB
Steigerwald brand OF tocopherol acetate	HMDB
Strathmann brand OF tocopherol	HMDB
Tocopherol grunwalder brand	HMDB
Tocopherol stadapharm brand	HMDB
Verla brand OF tocopherol	HMDB
Vit. e stada	HMDB
VitaPlus e	HMDB
Vitamin-e evi-mirale	HMDB
Vitamine e GNR	HMDB
Vitazell	HMDB
Worwag brand OF tocopherol	HMDB
Alcala brand OF tocopherol acetate	HMDB
Bio e	HMDB
Biopto-e	HMDB
e Vicotrat	HMDB
e-Ferol	HMDB
EUNOVA vitamin e	HMDB
Equivit e	HMDB
Evion	HMDB
Internation animal health brand OF tocopherol acetate	HMDB
MIP brand OF tocopherol acetate	HMDB
Sanum-kehlbeck brand OF tocopherol actetate	HMDB
Tocopherol infirmarius-rovit brand	HMDB
Tocopherol twardy brand	HMDB
Tocovital	HMDB
Vitamin-e dragees	HMDB
Wiedemann brand OF tocopherol	HMDB
Abortosan	HMDB
Arkopharma brand OF tocopherol acetate	HMDB
Dal vita brand OF vitamin e succinate	HMDB
Eu rho brand OF tocopherol	HMDB
Eusovit	HMDB
Infirmarius-rovit brand OF tocopherol	HMDB
Richtavit e	HMDB
Riemser brand OF tocopherol	HMDB
Tocopherol ausrichter brand	HMDB
Tocopherol balkanpharma brand	HMDB
Vitagutt vitamin e	HMDB
Vitamin e natur	HMDB
Vitamin e, togasan	HMDB
Ratiopharm brand OF tocopherol	HMDB
Aliud brand OF tocopherol	HMDB
Bottger brand OF tocopherol acetate	HMDB
Dermorelle	HMDB
e Ferol	HMDB
e-Vitamin-ratiopharm	HMDB
Heyl brand OF tocopherol acetate	HMDB
Kohler brand OF tocopherol	HMDB
Lasar	HMDB
Puncto e	HMDB
Rodisma-med brand OF tocopherol	HMDB
Sanum kehlbeck brand OF tocopherol actetate	HMDB
Scot tussin brand OF tocopherol acetate	HMDB
Stadapharm brand OF tocopherol	HMDB
Tocopa	HMDB
Tocopherol bayer	HMDB
Tocopherol grace brand	HMDB
Tocopherol ratiopharm brand	HMDB
Twardy brand OF tocopherol	HMDB
Uno vit	HMDB
Uno-vit	HMDB
Veyx brand OF tocopherol	HMDB
Vit e hydrosol	HMDB
Vita e	HMDB
Vitamin e al	HMDB
Wiedemann brand OF vitamin e succinate	HMDB
Ausrichter brand OF tocopherol	HMDB
Auxina e	HMDB
Balkanpharma brand OF tocopherol	HMDB
Blackmores brand OF tocopherol	HMDB
Dal-e	HMDB
Davitamon	HMDB
e-Vicotrat	HMDB
Ecoro	HMDB
Ephynal	HMDB
Grunwalder brand OF tocopherol	HMDB
ICN brand OF tocopherol acetate	HMDB
Mucos brand OF tocopherol acetate	HMDB
Tocopherol togal brand	HMDB
Tocopherol verla brand	HMDB
Togal brand OF tocopherol	HMDB
Troyapharm brand OF tocopherol acetate	HMDB
Vita-plus e	HMDB
Vitamin e sanum	HMDB
Vitamin e MP	HMDB
Vitamin emp	HMDB
Woelm brand OF tocopherol acetate	HMDB
Bayer brand OF tocopherol acetate	HMDB
GNR Pharma brand OF tocopherol actetate	HMDB
Grace brand OF tocopherol	HMDB
Malton e	HMDB
Merck brand OF tocopherol acetate	HMDB
Mowivit vitamin e	HMDB
Tocopherol wiedemann brand	HMDB
UnoVit	HMDB
Vitamin e evi mirale	HMDB
Vitamin e suspension	HMDB
Vitamin e, mowivit	HMDB
Vitamin e, vitagutt	HMDB
Vitamin e-MP	HMDB
Adisseo brand OF tocopherol	HMDB
Antioxidans e-hevert	HMDB
Aquasol e	HMDB
AstraZeneca brand OF tocopherol acetate	HMDB
Biosan	HMDB
Dal-vita brand OF vitamin e succinate	HMDB
Dragees, vitamin-e	HMDB
e Mulsin	HMDB
Hervert brand OF tocopherol acetate	HMDB
Hydrovit e	HMDB
Infirmarius rovit brand OF tocopherol	HMDB
Jenapharm brand OF tocopherol	HMDB
Kentucky brand OF tocopherol	HMDB
Micorvit e	HMDB
Sanavitan S	HMDB
Scot-tussin brand OF tocopherol acetate	HMDB
Tocopharm	HMDB
Tocopherol kentucky brand	HMDB
Vita plus e	HMDB
VitaE	HMDB
Medphano brand OF tocopherol acetate	HMDB
VitaminE evimirale	HMDB

Chemical Formula

C₂₈H₄₈O₂

Average Mass

416.6795 Da

Monoisotopic Mass

416.36543 Da

IUPAC Name

2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-ol

Traditional Name

2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-1-benzopyran-6-ol

CAS Registry Number

Not Available

SMILES

CC(C)CCCC(C)CCCC(C)CCCC1(C)CCC2=CC(O)=C(C)C(C)=C2O1

InChI Identifier

InChI=1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-19-26(29)23(5)24(6)27(25)30-28/h19-22,29H,8-18H2,1-7H3

InChI Key

QUEDXNHFTDJVIY-UHFFFAOYSA-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
Calea jamaicensis	LOTUS Database	35616633
Croton cortesianus	LOTUS Database	35616633
Heptapleurum taiwanianum	LOTUS Database	35616633
Hippophae rhamnoides	LOTUS Database	35616633
Piper guineense	LOTUS Database	35616633
Silybum marianum	LOTUS Database	35616633
Vitex negundo	LOTUS Database	35616633
Walsura yunnanensis	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as tocopherols. These are vitamin E derivatives containing a saturated trimethyltridecyl chain attached to the carbon C6 atom of a benzopyran ring system. The differ from tocotrienols that contain an unsaturated trimethyltrideca-3,7,11-trien-1-yl chain.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Quinone and hydroquinone lipids

Direct Parent

Tocopherols

Alternative Parents

Substituents

Tocopherol
Diterpenoid
1-benzopyran
Benzopyran
Chromane
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
Benzenoid
Oxacycle
Organoheterocyclic compound
Ether
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

vitamin E (GAMA-TOCOPHEROL )

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	8.81	ALOGPS
logP	9.99	ChemAxon
logS	-7.8	ALOGPS
pKa (Strongest Acidic)	10.47	ChemAxon
pKa (Strongest Basic)	-4.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	29.46 Å²	ChemAxon
Rotatable Bond Count	12	ChemAxon
Refractivity	130.33 m³·mol⁻¹	ChemAxon
Polarizability	54.13 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0001492

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB002431

KNApSAcK ID

C00007365

Chemspider ID

14266

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Wikipedia Link

METLIN ID

PubChem Compound

PDB ID

Not Available

ChEBI ID

298402

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-1-benzopyran-6-ol (NP0207046)

MOL for NP0207046 (2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-1-benzopyran-6-ol)

3D MOL for NP0207046 (2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-1-benzopyran-6-ol)

3D SDF for NP0207046 (2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-1-benzopyran-6-ol)

3D-SDF for NP0207046 (2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-1-benzopyran-6-ol)

PDB for NP0207046 (2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-1-benzopyran-6-ol)

3D PDB for NP0207046 (2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-1-benzopyran-6-ol)

SMILES for NP0207046 (2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-1-benzopyran-6-ol)

INCHI for NP0207046 (2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-1-benzopyran-6-ol)

Structure for NP0207046 (2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-1-benzopyran-6-ol)

3D Structure for NP0207046 (2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-1-benzopyran-6-ol)