NP-MRD: Showing NP-Card for 4,7,8,11-tetramethyltetracyclo[5.4.0.0³,⁵.0⁴,⁸]undecane (NP0252931)

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Record Information

Version

2.0

Created at

2022-09-07 16:37:43 UTC

Updated at

2022-09-07 16:37:43 UTC

NP-MRD ID

NP0252931

Secondary Accession Numbers

None

Natural Product Identification

Common Name

4,7,8,11-tetramethyltetracyclo[5.4.0.0³,⁵.0⁴,⁸]undecane

Description

Rotenone, also known as derris or 5'beta-rotenone, belongs to the class of organic compounds known as rotenones. These are rotenoids with a structure based on a 6a,12a-dihydrochromeno[3,4-b]chromen-12(6H)-one skeleton. Thus, rotenone is considered to be a flavonoid lipid molecule. Rotenone is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. Outside of the human body, Rotenone has been detected, but not quantified in, jicama and pulses. This could make rotenone a potential biomarker for the consumption of these foods. 4,7,8,11-tetramethyltetracyclo[5.4.0.0³,⁵.0⁴,⁸]undecane is found in Pogostemon cablin. 4,7,8,11-tetramethyltetracyclo[5.4.0.0³,⁵.0⁴,⁸]undecane was first documented in 2004 (PMID: 14976342). Rotenone is an isoflavone compound that naturally occurs in the jicama vine plant as well as many Fabaceae plants (PMID: 15043430) (PMID: 15790535) (PMID: 17077549) (PMID: 19013527).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 39 42  0  0  0  0  0  0  0  0999 V2000
    3.3987    0.2459    0.0426 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9824    0.6132    0.4119 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4568    1.5583   -0.6113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0302    1.6484   -0.4644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7364    0.3367   -0.6039 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5141    0.3524   -1.8972 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1336   -0.8591   -0.4472 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7394   -1.3900   -1.6864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7930   -1.9531    0.1089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7475   -1.2048    0.9690 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0907   -0.1961    1.8317 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3497   -0.4406    1.9341 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1126   -0.5796    0.6678 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6734    0.2003    0.5729 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.9633    0.9438    0.4898 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5070   -0.7821   -0.3287 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0830    0.3181    0.9343 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8105    1.0020   -0.6772 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0526    1.1858    1.3833 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8581    2.5875   -0.3701 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7992    1.3590   -1.6428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4359    2.4014   -1.1934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2107    2.1276    0.5440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3633    1.3141   -2.4575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2041   -0.4539   -2.5781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5971    0.2806   -1.7092 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8404   -0.6587   -2.5162 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7336   -1.8742   -1.5200 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1033   -2.2186   -2.1207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3242   -2.4554   -0.7030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1866   -2.6766    0.7114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6344   -1.7038    1.3551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5888    0.1431    2.7625 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5089   -1.3765    2.5441 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8527    0.3620    2.5457 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8034   -1.4691    0.6997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3985    1.2184    1.4560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9163    1.8326   -0.1742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7175    0.2609   -0.0012 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  6
  5 14  1  0
 14 15  1  1
 14 10  1  0
 10  9  1  0
  9  7  1  0
  7  8  1  6
  7 13  1  0
 13 12  1  0
 12 11  1  0
 13  2  1  0
  7  5  1  0
 11 14  1  0
 11 10  1  0
  1 16  1  0
  1 17  1  0
  1 18  1  0
  2 19  1  1
  3 20  1  0
  3 21  1  0
  4 22  1  0
  4 23  1  0
  6 24  1  0
  6 25  1  0
  6 26  1  0
 15 37  1  0
 15 38  1  0
 15 39  1  0
 10 32  1  1
  9 30  1  0
  9 31  1  0
  8 27  1  0
  8 28  1  0
  8 29  1  0
 13 36  1  1
 12 34  1  0
 12 35  1  0
 11 33  1  1
M  END


  Mrv0541 05061309202D          

 15 18  0  0  0  0            999 V2000
   -0.8246   -0.0698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1362    1.1640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8665    2.5732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0246    2.3163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6417    1.2989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1097    1.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5127    0.1665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9676    0.2734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3086    0.5396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5711    0.0963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1418    0.9063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4186    0.9182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6530    1.0427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7348    1.7857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6050    1.6368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  6  5  1  0  0  0  0
  9  1  1  0  0  0  0
  9  5  1  0  0  0  0
 10  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11  7  1  0  0  0  0
 12  8  1  0  0  0  0
 12 11  1  0  0  0  0
 13  2  1  0  0  0  0
 13  8  1  0  0  0  0
 13 10  1  0  0  0  0
 14  3  1  0  0  0  0
 14  6  1  0  0  0  0
 14 13  1  0  0  0  0
 15  4  1  0  0  0  0
 15 11  1  0  0  0  0
 15 12  1  0  0  0  0
 15 14  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0252931

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1CCC2(C)C3(C)C4CC2(C)C1CC34

> <INCHI_IDENTIFIER>
InChI=1S/C15H24/c1-9-5-6-14(3)13(2)8-12-11(7-10(9)13)15(12,14)4/h9-12H,5-8H2,1-4H3

> <INCHI_KEY>
XPWRIXBORAHMCD-UHFFFAOYSA-N

> <FORMULA>
C15H24

> <MOLECULAR_WEIGHT>
204.3511

> <EXACT_MASS>
204.187800768

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
25.36127226895207

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
4,7,8,11-tetramethyltetracyclo[5.4.0.0³,⁵.0⁴,⁸]undecane

> <ALOGPS_LOGP>
4.47

> <JCHEM_LOGP>
3.740940651333333

> <ALOGPS_LOGS>
-5.69

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
62.8639

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.16e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4,7,8,11-tetramethyltetracyclo[5.4.0.0³,⁵.0⁴,⁸]undecane

> <JCHEM_VEBER_RULE>
1

$$$$

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0      -1.539  -0.130   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -0.254   2.173   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.617   4.803   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       3.779   4.324   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.198   2.425   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -0.205   3.591   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.824   0.311   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.806   0.510   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -0.576   1.007   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.066   0.180   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       3.998   1.692   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.648   1.714   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.219   1.946   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.372   3.333   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.996   3.055   0.000  0.00  0.00           C+0
CONECT    1    9                                                            
CONECT    2   13                                                            
CONECT    3   14                                                            
CONECT    4   15                                                            
CONECT    5    6    9                                                       
CONECT    6    5   14                                                       
CONECT    7   10   11                                                       
CONECT    8   12   13                                                       
CONECT    9    1    5   10                                                  
CONECT   10    7    9   13                                                  
CONECT   11    7   12   15                                                  
CONECT   12    8   11   15                                                  
CONECT   13    2    8   10   14                                             
CONECT   14    3    6   13   15                                             
CONECT   15    4   11   12   14                                             
MASTER        0    0    0    0    0    0    0    0   15    0   36    0
END

View in JSmol

Synonyms

Value	Source
(-)-cis-Rotenone	ChEBI
(-)-Rotenone	ChEBI
5'beta-Rotenone	ChEBI
[2R-(2alpha,6Aalpha,12aalpha)]-1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)[1]benzopyrano[3,4-b]furo[2,3-H][1]benzopyran-6(6ah)-one	ChEBI
Barbasco	ChEBI
Canex	ChEBI
Dactinol	ChEBI
Derris	ChEBI
Noxfire	ChEBI
Paraderil	ChEBI
Tubatoxin	ChEBI
5'b-Rotenone	Generator
5'Β-rotenone	Generator
[2R-(2a,6Aalpha,12aalpha)]-1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)[1]benzopyrano[3,4-b]furo[2,3-H][1]benzopyran-6(6ah)-one	Generator
[2R-(2Α,6aalpha,12aalpha)]-1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)[1]benzopyrano[3,4-b]furo[2,3-H][1]benzopyran-6(6ah)-one	Generator
1,2,12,12a-Tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)-[1]benzopyrano[3,4-b]furo[2,3-H][1]benzopyran-6(6ah)-one, 9ci	HMDB
Derrin	HMDB
Derris, jmaf	HMDB
Dri-kil	HMDB
Nicouline	HMDB
Noxfish	HMDB
Tubotoxin	HMDB

Chemical Formula

C₁₅H₂₄

Average Mass

204.3511 Da

Monoisotopic Mass

204.18780 Da

IUPAC Name

4,7,8,11-tetramethyltetracyclo[5.4.0.0³,⁵.0⁴,⁸]undecane

Traditional Name

4,7,8,11-tetramethyltetracyclo[5.4.0.0³,⁵.0⁴,⁸]undecane

CAS Registry Number

Not Available

SMILES

CC1CCC2(C)C3(C)C4CC2(C)C1CC34

InChI Identifier

InChI=1S/C15H24/c1-9-5-6-14(3)13(2)8-12-11(7-10(9)13)15(12,14)4/h9-12H,5-8H2,1-4H3

InChI Key

XPWRIXBORAHMCD-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
Pogostemon cablin	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as rotenones. These are rotenoids with a structure based on a 6a,12a-dihydrochromeno[3,4-b]chromen-12(6H)-one skeleton.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Isoflavonoids

Sub Class

Rotenoids

Direct Parent

Rotenones

Alternative Parents

Substituents

Rotenone or derivatives
8-prenylated isoflavanone
Isoflavanone
Isoflavan
Chromone
Chromane
1-benzopyran
Benzopyran
Coumaran
Anisole
Aryl alkyl ketone
Aryl ketone
Alkyl aryl ether
Benzenoid
Ketone
Ether
Oxacycle
Organoheterocyclic compound
Organic oxygen compound
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

organic heteropentacyclic compound (CHEBI:28201 )
rotenones (CHEBI:28201 )
rotenones (C07593 )
Rotenoid flavonoids (C07593 )
Pesticides (C07593 )
Rotenoid flavonoids (LMPK12060007 )

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	4.47	ALOGPS
logP	3.74	ChemAxon
logS	-5.7	ALOGPS
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	0	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	0 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	62.86 m³·mol⁻¹	ChemAxon
Polarizability	25.36 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0034436

DrugBank ID

DB11457

Phenol Explorer Compound ID

Not Available

FoodDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Not Available

Wikipedia Link

Rotenone

METLIN ID

Not Available

PubChem Compound

6758

PDB ID

Not Available

ChEBI ID

28201

Good Scents ID

Not Available

References

General References

Newhouse K, Hsuan SL, Chang SH, Cai B, Wang Y, Xia Z: Rotenone-induced apoptosis is mediated by p38 and JNK MAP kinases in human dopaminergic SH-SY5Y cells. Toxicol Sci. 2004 May;79(1):137-46. doi: 10.1093/toxsci/kfh089. Epub 2004 Feb 19. [PubMed:14976342 ]
Cao S, Schilling JK, Miller JS, Andriantsiferana R, Rasamison VE, Kingston DG: Cytotoxic compounds from Mundulea chapelieri from the Madagascar Rainforest. J Nat Prod. 2004 Mar;67(3):454-6. doi: 10.1021/np0303815. [PubMed:15043430 ]
Testa CM, Sherer TB, Greenamyre JT: Rotenone induces oxidative stress and dopaminergic neuron damage in organotypic substantia nigra cultures. Brain Res Mol Brain Res. 2005 Mar 24;134(1):109-18. doi: 10.1016/j.molbrainres.2004.11.007. Epub 2005 Jan 6. [PubMed:15790535 ]
Morikawa T, Xu F, Matsuda H, Yoshikawa M: Structures of new flavonoids, erycibenins D, E, and F, and NO production inhibitors from Erycibe expansa originating in Thailand. Chem Pharm Bull (Tokyo). 2006 Nov;54(11):1530-4. doi: 10.1248/cpb.54.1530. [PubMed:17077549 ]
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LOTUS database [Link]

Showing NP-Card for 4,7,8,11-tetramethyltetracyclo[5.4.0.0³,⁵.0⁴,⁸]undecane (NP0252931)

MOL for NP0252931 (4,7,8,11-tetramethyltetracyclo[5.4.0.0³,⁵.0⁴,⁸]undecane)

3D MOL for NP0252931 (4,7,8,11-tetramethyltetracyclo[5.4.0.0³,⁵.0⁴,⁸]undecane)

3D SDF for NP0252931 (4,7,8,11-tetramethyltetracyclo[5.4.0.0³,⁵.0⁴,⁸]undecane)

3D-SDF for NP0252931 (4,7,8,11-tetramethyltetracyclo[5.4.0.0³,⁵.0⁴,⁸]undecane)

PDB for NP0252931 (4,7,8,11-tetramethyltetracyclo[5.4.0.0³,⁵.0⁴,⁸]undecane)

3D PDB for NP0252931 (4,7,8,11-tetramethyltetracyclo[5.4.0.0³,⁵.0⁴,⁸]undecane)

SMILES for NP0252931 (4,7,8,11-tetramethyltetracyclo[5.4.0.0³,⁵.0⁴,⁸]undecane)

INCHI for NP0252931 (4,7,8,11-tetramethyltetracyclo[5.4.0.0³,⁵.0⁴,⁸]undecane)

Structure for NP0252931 (4,7,8,11-tetramethyltetracyclo[5.4.0.0³,⁵.0⁴,⁸]undecane)

3D Structure for NP0252931 (4,7,8,11-tetramethyltetracyclo[5.4.0.0³,⁵.0⁴,⁸]undecane)