NP-MRD: Showing NP-Card for 4,4aalpha,5,6,7,8,8a,9-Octahydro-3,8alphabeta-dimethyl-5-methylenenaphtho[2,3-b]furan (NP0059403)

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Record Information

Version

2.0

Created at

2022-04-28 04:39:05 UTC

Updated at

2022-04-28 04:39:05 UTC

NP-MRD ID

NP0059403

Secondary Accession Numbers

None

Natural Product Identification

Common Name

4,4aalpha,5,6,7,8,8a,9-Octahydro-3,8alphabeta-dimethyl-5-methylenenaphtho[2,3-b]furan

Description

Atractylon, also known as atractyloxide, belongs to the class of organic compounds known as eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids. These are sesquiterpenoids with a structure based either on the eremophilane skeleton, its 8,9-seco derivative, or the furoeremophilane skeleton. Eremophilanes have been shown to be derived from eudesmanes by migration of the methyl group at C-10 to C-5. 4,4aalpha,5,6,7,8,8a,9-Octahydro-3,8alphabeta-dimethyl-5-methylenenaphtho[2,3-b]furan is found in Actaea simplex, Atractylodes japonica, Atractylis ovata , Atractylodes macrocephala, Eugenia uniflora and Prumnopitys andina. 4,4aalpha,5,6,7,8,8a,9-Octahydro-3,8alphabeta-dimethyl-5-methylenenaphtho[2,3-b]furan was first documented in 2021 (PMID: 34885880). Based on a literature review a small amount of articles have been published on Atractylon (PMID: 35371119) (PMID: 34963032) (PMID: 35119084) (PMID: 35104500).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 36 38  0  0  0  0  0  0  0  0999 V2000
   -1.3807    2.6104   -0.4508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083    1.4337    0.1321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9691    1.0228    0.5767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0996   -0.4733    0.4931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2662   -1.0775   -0.6037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8078   -0.7565   -0.4910 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2709   -0.5503   -1.8917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0154   -1.9164    0.1039 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3670   -1.4921    0.3726 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4155   -2.2544    0.6626 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4789   -1.5276    0.8375 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1223   -0.2109    0.6549 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0204    0.9612    0.7583 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7766   -0.1596    0.3564 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8332    0.9531    0.0615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5426    0.4394    0.3881 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2307    3.2665   -0.5922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3882    2.9012   -0.7710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7723    1.5662    0.0812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0246    1.2853    1.6688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1617   -0.7050    0.2670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8511   -0.9778    1.4411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6667   -0.6826   -1.5708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4844   -2.1655   -0.6170 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8101   -0.7444   -1.9739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5273    0.4456   -2.2970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8065   -1.2870   -2.5549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5400   -2.2121    1.0384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0323   -2.7983   -0.5976 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4925   -1.8757    1.0869 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9947    0.7569    0.2693 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1333    1.2247    1.8357 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5992    1.8546    0.2576 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9026    1.1950   -1.0218 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0616    1.8585    0.6541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5613    0.0918    1.4357 H   0  0  0  0  0  0  0  0  0  0  0  0
 13 12  1  0
 12 11  2  0
 11 10  1  0
 10  9  1  0
  9 14  2  0
 14 15  1  0
 15 16  1  0
 16  2  1  0
  2  1  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  6
  6  8  1  0
 14 12  1  0
  6 16  1  0
  8  9  1  0
 13 31  1  0
 13 32  1  0
 13 33  1  0
 11 30  1  0
 15 34  1  0
 15 35  1  0
 16 36  1  1
  1 17  1  0
  1 18  1  0
  3 19  1  0
  3 20  1  0
  4 21  1  0
  4 22  1  0
  5 23  1  0
  5 24  1  0
  7 25  1  0
  7 26  1  0
  7 27  1  0
  8 28  1  0
  8 29  1  0
M  END


  Mrv1652304282206392D          

 16 18  0  0  1  0            999 V2000
    4.0668    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668    3.1729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523    1.9354    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3523    1.1104    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0668    0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7812    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7812    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    2.1904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538    1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    0.8555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8838    2.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523    0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  3  1  1  1  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
  3 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
  9 14  1  0  0  0  0
 12 15  1  0  0  0  0
  4 16  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0059403

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1=COC2=C1C[C@H]1C(=C)CCC[C@]1(C)C2

> <INCHI_IDENTIFIER>
InChI=1S/C15H20O/c1-10-5-4-6-15(3)8-14-12(7-13(10)15)11(2)9-16-14/h9,13H,1,4-8H2,2-3H3/t13-,15+/m0/s1

> <INCHI_KEY>
TYPSVDGIQAOBAD-DZGCQCFKSA-N

> <FORMULA>
C15H20O

> <MOLECULAR_WEIGHT>
216.324

> <EXACT_MASS>
216.151415264

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
36

> <JCHEM_AVERAGE_POLARIZABILITY>
25.92239172459979

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(4aS,8aR)-3,8a-dimethyl-5-methylidene-4H,4aH,5H,6H,7H,8H,8aH,9H-naphtho[2,3-b]furan

> <ALOGPS_LOGP>
4.21

> <JCHEM_LOGP>
4.082130620666666

> <ALOGPS_LOGS>
-4.11

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-2.642141440291068

> <JCHEM_POLAR_SURFACE_AREA>
13.14

> <JCHEM_REFRACTIVITY>
66.4245

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.66e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(4aS,8aR)-3,8a-dimethyl-5-methylidene-4H,4aH,6H,7H,8H,9H-naphtho[2,3-b]furan

> <JCHEM_VEBER_RULE>
1

$$$$

HEADER    PROTEIN                                 28-APR-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   28-APR-22         0                                  
HETATM    1  C   UNK     0       7.591   4.383   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       7.591   5.923   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.258   3.613   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       6.258   2.073   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       7.591   1.303   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       8.925   2.073   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       8.925   3.613   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.924   1.303   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.590   2.073   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       3.590   3.613   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.924   4.383   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.126   4.089   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.220   2.843   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       2.126   1.597   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       1.650   5.553   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.258   0.533   0.000  0.00  0.00           C+0
CONECT    1    2    3    7                                                  
CONECT    2    1                                                            
CONECT    3    1    4   11                                                  
CONECT    4    3    5    8   16                                             
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    1                                                       
CONECT    8    4    9                                                       
CONECT    9    8   10   14                                                  
CONECT   10    9   11   12                                                  
CONECT   11   10    3                                                       
CONECT   12   10   13   15                                                  
CONECT   13   12   14                                                       
CONECT   14   13    9                                                       
CONECT   15   12                                                            
CONECT   16    4                                                            
MASTER        0    0    0    0    0    0    0    0   16    0   36    0
END

View in JSmol

Synonyms

Value	Source
Atractylol	Kegg
Atractyloxide	Kegg

Chemical Formula

C₁₅H₂₀O

Average Mass

216.3240 Da

Monoisotopic Mass

216.15142 Da

IUPAC Name

(4aS,8aR)-3,8a-dimethyl-5-methylidene-4H,4aH,5H,6H,7H,8H,8aH,9H-naphtho[2,3-b]furan

Traditional Name

(4aS,8aR)-3,8a-dimethyl-5-methylidene-4H,4aH,6H,7H,8H,9H-naphtho[2,3-b]furan

CAS Registry Number

Not Available

SMILES

CC1=COC2=C1C[C@H]1C(=C)CCC[C@]1(C)C2

InChI Identifier

InChI=1S/C15H20O/c1-10-5-4-6-15(3)8-14-12(7-13(10)15)11(2)9-16-14/h9,13H,1,4-8H2,2-3H3/t13-,15+/m0/s1

InChI Key

TYPSVDGIQAOBAD-DZGCQCFKSA-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
Actaea simplex	LOTUS Database	35616633
Atractylodes japonica	Plant	KNApSAcK
Atractylodes lancea	Plant	KNApSAcK
Atractylodes macrocephala	LOTUS Database	35616633
Eugenia uniflora	LOTUS Database	35616633
Prumnopitys andina	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids. These are sesquiterpenoids with a structure based either on the eremophilane skeleton, its 8,9-seco derivative, or the furoeremophilane skeleton. Eremophilanes have been shown to be derived from eudesmanes by migration of the methyl group at C-10 to C-5.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Sesquiterpenoids

Direct Parent

Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids

Alternative Parents

Substituents

Furoeremophilane sesquiterpenoid
Naphthofuran
Benzofuran
Heteroaromatic compound
Furan
Oxacycle
Organoheterocyclic compound
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

sesquiterpenoid (CHEBI:80796 )

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	4.21	ALOGPS
logP	4.08	ChemAxon
logS	-4.1	ALOGPS
pKa (Strongest Basic)	-2.6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	0	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	13.14 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	66.42 m³·mol⁻¹	ChemAxon
Polarizability	25.92 Å³	ChemAxon
Number of Rings	3	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

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00012937

Chemspider ID

2338385

KEGG Compound ID

C16919

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

3080635

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

rw1523911

References

General References

Sun J, Luo H, Jiang Y, Wang L, Xiao C, Weng L: Influence of Nutrient (NPK) Factors on Growth, and Pharmacodynamic Component Biosynthesis of Atractylodes chinensis: An Insight on Acetyl-CoA Carboxylase (ACC), 3-Hydroxy-3-Methylglutaryl-CoA Reductase (HMGR), and Farnesyl Pyrophosphate Synthase (FPPS) Signaling Responses. Front Plant Sci. 2022 Mar 18;13:799201. doi: 10.3389/fpls.2022.799201. eCollection 2022. [PubMed:35371119 ]
Zhu Q, Lin M, Zhuo W, Li Y: Chemical Constituents from the Wild Atractylodes macrocephala Koidz and Acetylcholinesterase Inhibitory Activity Evaluation as Well as Molecular Docking Study. Molecules. 2021 Dec 1;26(23). pii: molecules26237299. doi: 10.3390/molecules26237299. [PubMed:34885880 ]
Xu R, Lu J, Wu J, Yu D, Chu S, Guan F, Liu W, Hu J, Peng H, Zha L: Comparative analysis in different organs and tissue-specific metabolite profiling of Atractylodes lancea from four regions by GC-MS and laser microdissection. J Sep Sci. 2022 Mar;45(5):1067-1079. doi: 10.1002/jssc.202100924. Epub 2022 Jan 3. [PubMed:34963032 ]
Cheng Y, Ping J, Chen J, Fu Y, Zhao H, Xue J: Molecular mechanism of atractylon in the invasion and migration of hepatic cancer cells based on highthroughput sequencing. Mol Med Rep. 2022 Apr;25(4). pii: 112. doi: 10.3892/mmr.2022.12628. Epub 2022 Feb 4. [PubMed:35119084 ]
Li H, Wang F, Zhou Z, Jiang X, Li F, Feng Y, Liu C, Zhang Y, Fan S, Wu X, Huang C: Atractylon, a novel dopamine 2 receptor agonist, ameliorates Parkinsonian like motor dysfunctions in MPTP-induced mice. Neurotoxicology. 2022 Mar;89:121-126. doi: 10.1016/j.neuro.2022.01.010. Epub 2022 Jan 31. [PubMed:35104500 ]

Showing NP-Card for 4,4aalpha,5,6,7,8,8a,9-Octahydro-3,8alphabeta-dimethyl-5-methylenenaphtho[2,3-b]furan (NP0059403)

MOL for NP0059403 (4,4aalpha,5,6,7,8,8a,9-Octahydro-3,8alphabeta-dimethyl-5-methylenenaphtho[2,3-b]furan)

3D MOL for NP0059403 (4,4aalpha,5,6,7,8,8a,9-Octahydro-3,8alphabeta-dimethyl-5-methylenenaphtho[2,3-b]furan)

3D SDF for NP0059403 (4,4aalpha,5,6,7,8,8a,9-Octahydro-3,8alphabeta-dimethyl-5-methylenenaphtho[2,3-b]furan)

3D-SDF for NP0059403 (4,4aalpha,5,6,7,8,8a,9-Octahydro-3,8alphabeta-dimethyl-5-methylenenaphtho[2,3-b]furan)

PDB for NP0059403 (4,4aalpha,5,6,7,8,8a,9-Octahydro-3,8alphabeta-dimethyl-5-methylenenaphtho[2,3-b]furan)

3D PDB for NP0059403 (4,4aalpha,5,6,7,8,8a,9-Octahydro-3,8alphabeta-dimethyl-5-methylenenaphtho[2,3-b]furan)

SMILES for NP0059403 (4,4aalpha,5,6,7,8,8a,9-Octahydro-3,8alphabeta-dimethyl-5-methylenenaphtho[2,3-b]furan)

INCHI for NP0059403 (4,4aalpha,5,6,7,8,8a,9-Octahydro-3,8alphabeta-dimethyl-5-methylenenaphtho[2,3-b]furan)

Structure for NP0059403 (4,4aalpha,5,6,7,8,8a,9-Octahydro-3,8alphabeta-dimethyl-5-methylenenaphtho[2,3-b]furan)

3D Structure for NP0059403 (4,4aalpha,5,6,7,8,8a,9-Octahydro-3,8alphabeta-dimethyl-5-methylenenaphtho[2,3-b]furan)