NP-MRD: Showing NP-Card for 6-hydroxy-5a,9-dimethyl-3-methylidene-3ah,4h,5h,6h,7h,9bh-naphtho[1,2-b]furan-2,8-dione (NP0235031)

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Record Information

Version

2.0

Created at

2022-09-06 17:25:52 UTC

Updated at

2022-09-06 17:25:52 UTC

NP-MRD ID

NP0235031

Secondary Accession Numbers

None

Natural Product Identification

Common Name

6-hydroxy-5a,9-dimethyl-3-methylidene-3ah,4h,5h,6h,7h,9bh-naphtho[1,2-b]furan-2,8-dione

Description

Armexifolin, also known as 1-epi-ludovicin C, belongs to the class of organic compounds known as eudesmanolides, secoeudesmanolides, and derivatives. These are terpenoids with a structure based on the eudesmanolide (a 3,5a,9-trimethyl-naphtho[1,2-b]furan-2-one derivative) or secoeudesmanolide (a 3,6-dimethyl-5-(pentan-2-yl)-1-benzofuran-2-one derivative) skeleton. Armexifolin is an extremely weak basic (essentially neutral) compound (based on its pKa). Outside of the human body, Armexifolin has been detected, but not quantified in, herbs and spices. 6-hydroxy-5a,9-dimethyl-3-methylidene-3ah,4h,5h,6h,7h,9bh-naphtho[1,2-b]furan-2,8-dione is found in Artemisia anomala, Artemisia ludoviciana, Chamaemelum fuscatum and Tanacetum densum. This could make armexifolin a potential biomarker for the consumption of these foods.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 37 39  0  0  0  0  0  0  0  0999 V2000
    4.1459   -0.9499    0.5650 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1296   -0.1433    0.7366 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0818    1.2742    1.0865 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0823    1.9790    1.3990 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7306    1.6808    1.0061 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1518    0.8051    0.0793 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2960    0.6978    0.0823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1366    1.7106    0.2121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5874    3.0765    0.3693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5840    1.5238    0.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3574    2.4953    0.5195 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1809    0.2336   -0.1685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1722   -0.6176   -0.8563 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6513   -1.9133   -0.9685 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8576   -0.6943   -0.0826 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1359   -1.3611    1.2159 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0902   -1.4792   -0.9630 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4467   -1.6590   -0.3185 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7031   -0.5317    0.6007 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0034   -1.9859    0.3043 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1427   -0.5509    0.6916 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5953    1.0374   -0.9079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1064    3.2165    1.3667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3975    3.8340    0.3152 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1254    3.3414   -0.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9894    0.4590   -0.9207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6401   -0.2985    0.6885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9277   -0.2451   -1.8576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5660   -2.0214   -0.5998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1579   -1.7843    1.1863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0389   -0.5937    2.0214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4728   -2.2197    1.4376 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2340   -0.8598   -1.8907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3781   -2.4240   -1.2668 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4630   -2.6133    0.2795 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1847   -1.7617   -1.1398 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3234   -0.6574    1.6218 H   0  0  0  0  0  0  0  0  0  0  0  0
  9  8  1  0
  8  7  2  0
  7  6  1  0
  6  5  1  0
  5  3  1  0
  3  4  2  0
  3  2  1  0
  2  1  2  3
  2 19  1  0
 19 18  1  0
 18 17  1  0
 17 15  1  0
 15 16  1  1
 15 13  1  0
 13 14  1  0
 13 12  1  0
 12 10  1  0
 10 11  2  0
 10  8  1  0
 15  7  1  0
 19  6  1  0
  9 23  1  0
  9 24  1  0
  9 25  1  0
  6 22  1  6
  1 20  1  0
  1 21  1  0
 19 37  1  1
 18 35  1  0
 18 36  1  0
 17 33  1  0
 17 34  1  0
 16 30  1  0
 16 31  1  0
 16 32  1  0
 13 28  1  6
 14 29  1  0
 12 26  1  0
 12 27  1  0
M  END


  Mrv0541 05061308342D          

 19 21  0  0  0  0            999 V2000
    4.2295    1.3982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4944   -1.0415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7591    1.8407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4083    1.7892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5837    1.8150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1101    0.4383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5995    0.8656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1045   -0.3145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7983    1.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2799   -0.2887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3245    1.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5391    0.3867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3637    0.3610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6601    0.0428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1491    1.1137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1547   -0.9900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0655    1.8665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3613   -0.3918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8963   -0.2691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  4  1  0  0  0  0
  7  1  2  0  0  0  0
  8  2  1  0  0  0  0
  9  4  1  0  0  0  0
  9  7  1  0  0  0  0
 10  6  1  0  0  0  0
 10  8  1  0  0  0  0
 11  6  1  0  0  0  0
 12  8  2  0  0  0  0
 13  9  1  0  0  0  0
 13 12  1  0  0  0  0
 14  7  1  0  0  0  0
 15  3  1  0  0  0  0
 15  5  1  0  0  0  0
 15 11  1  0  0  0  0
 15 12  1  0  0  0  0
 16 10  2  0  0  0  0
 17 11  1  0  0  0  0
 18 14  2  0  0  0  0
 19 13  1  0  0  0  0
 19 14  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0235031

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1=C2C3OC(=O)C(=C)C3CCC2(C)C(O)CC1=O

> <INCHI_IDENTIFIER>
InChI=1S/C15H18O4/c1-7-9-4-5-15(3)11(17)6-10(16)8(2)12(15)13(9)19-14(7)18/h9,11,13,17H,1,4-6H2,2-3H3

> <INCHI_KEY>
QPXLDBMZJNDASA-UHFFFAOYSA-N

> <FORMULA>
C15H18O4

> <MOLECULAR_WEIGHT>
262.301

> <EXACT_MASS>
262.120509064

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
26.961166048063276

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
6-hydroxy-5a,9-dimethyl-3-methylidene-2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9bH-naphtho[1,2-b]furan-2,8-dione

> <ALOGPS_LOGP>
0.63

> <JCHEM_LOGP>
1.6701043186666664

> <ALOGPS_LOGS>
-1.97

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
17.480675068255874

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.442492694225493

> <JCHEM_PKA_STRONGEST_BASIC>
-3.04085969525143

> <JCHEM_POLAR_SURFACE_AREA>
63.599999999999994

> <JCHEM_REFRACTIVITY>
68.904

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.84e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
6-hydroxy-5a,9-dimethyl-3-methylidene-3aH,4H,5H,6H,7H,9bH-naphtho[1,2-b]furan-2,8-dione

> <JCHEM_VEBER_RULE>
0

$$$$

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       7.895   2.610   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.790  -1.944   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.417   3.436   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.495   3.340   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.956   3.388   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -0.206   0.818   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       6.719   1.616   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.062  -0.587   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       5.223   1.983   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.522  -0.539   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.606   2.127   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.873   0.722   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.412   0.674   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       6.832   0.080   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.145   2.079   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      -0.289  -1.848   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0      -0.122   3.484   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0       8.141  -0.731   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0       5.406  -0.502   0.000  0.00  0.00           O+0
CONECT    1    7                                                            
CONECT    2    8                                                            
CONECT    3   15                                                            
CONECT    4    5    9                                                       
CONECT    5    4   15                                                       
CONECT    6   10   11                                                       
CONECT    7    1    9   14                                                  
CONECT    8    2   10   12                                                  
CONECT    9    4    7   13                                                  
CONECT   10    6    8   16                                                  
CONECT   11    6   15   17                                                  
CONECT   12    8   13   15                                                  
CONECT   13    9   12   19                                                  
CONECT   14    7   18   19                                                  
CONECT   15    3    5   11   12                                             
CONECT   16   10                                                            
CONECT   17   11                                                            
CONECT   18   14                                                            
CONECT   19   13   14                                                       
MASTER        0    0    0    0    0    0    0    0   19    0   42    0
END

View in JSmol

Synonyms

Value	Source
1-Epi-ludovicin C	HMDB
1-Epiludovicin C	HMDB
[3AS-(3aalpha,5abeta,6beta,9bbeta)]-3a,5,5a,6,7,9b-hexahydro-6-hydroxy-5a,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2,8(3H,4H)-dione	HMDB

Chemical Formula

C₁₅H₁₈O₄

Average Mass

262.3010 Da

Monoisotopic Mass

262.12051 Da

IUPAC Name

6-hydroxy-5a,9-dimethyl-3-methylidene-2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9bH-naphtho[1,2-b]furan-2,8-dione

Traditional Name

6-hydroxy-5a,9-dimethyl-3-methylidene-3aH,4H,5H,6H,7H,9bH-naphtho[1,2-b]furan-2,8-dione

CAS Registry Number

Not Available

SMILES

CC1=C2C3OC(=O)C(=C)C3CCC2(C)C(O)CC1=O

InChI Identifier

InChI=1S/C15H18O4/c1-7-9-4-5-15(3)11(17)6-10(16)8(2)12(15)13(9)19-14(7)18/h9,11,13,17H,1,4-6H2,2-3H3

InChI Key

QPXLDBMZJNDASA-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
Artemisia anomala	LOTUS Database	35616633
Artemisia ludoviciana	LOTUS Database	35616633
Chamaemelum fuscatum	LOTUS Database	35616633
Tanacetum densum	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as eudesmanolides, secoeudesmanolides, and derivatives. These are terpenoids with a structure based on the eudesmanolide (a 3,5a,9-trimethyl-naphtho[1,2-b]furan-2-one derivative) or secoeudesmanolide (a 3,6-dimethyl-5-(pentan-2-yl)-1-benzofuran-2-one derivative) skeleton.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Terpene lactones

Direct Parent

Eudesmanolides, secoeudesmanolides, and derivatives

Alternative Parents

Substituents

Eudesmanolide
Sesquiterpenoid
Naphthofuran
Cyclohexenone
Gamma butyrolactone
Tetrahydrofuran
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Carboxylic acid ester
Ketone
Lactone
Secondary alcohol
Cyclic ketone
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Oxacycle
Organoheterocyclic compound
Hydrocarbon derivative
Carbonyl group
Organic oxide
Organic oxygen compound
Organooxygen compound
Alcohol
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic compounds

External Descriptors

Not Available

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	0.63	ALOGPS
logP	1.67	ChemAxon
logS	-2	ALOGPS
pKa (Strongest Acidic)	14.44	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	63.6 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	68.9 m³·mol⁻¹	ChemAxon
Polarizability	26.96 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0035596

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB014288

KNApSAcK ID

C00013062

Chemspider ID

26503148

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

13918461

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 6-hydroxy-5a,9-dimethyl-3-methylidene-3ah,4h,5h,6h,7h,9bh-naphtho[1,2-b]furan-2,8-dione (NP0235031)

MOL for NP0235031 (6-hydroxy-5a,9-dimethyl-3-methylidene-3ah,4h,5h,6h,7h,9bh-naphtho[1,2-b]furan-2,8-dione)

3D MOL for NP0235031 (6-hydroxy-5a,9-dimethyl-3-methylidene-3ah,4h,5h,6h,7h,9bh-naphtho[1,2-b]furan-2,8-dione)

3D SDF for NP0235031 (6-hydroxy-5a,9-dimethyl-3-methylidene-3ah,4h,5h,6h,7h,9bh-naphtho[1,2-b]furan-2,8-dione)

3D-SDF for NP0235031 (6-hydroxy-5a,9-dimethyl-3-methylidene-3ah,4h,5h,6h,7h,9bh-naphtho[1,2-b]furan-2,8-dione)

PDB for NP0235031 (6-hydroxy-5a,9-dimethyl-3-methylidene-3ah,4h,5h,6h,7h,9bh-naphtho[1,2-b]furan-2,8-dione)

3D PDB for NP0235031 (6-hydroxy-5a,9-dimethyl-3-methylidene-3ah,4h,5h,6h,7h,9bh-naphtho[1,2-b]furan-2,8-dione)

SMILES for NP0235031 (6-hydroxy-5a,9-dimethyl-3-methylidene-3ah,4h,5h,6h,7h,9bh-naphtho[1,2-b]furan-2,8-dione)

INCHI for NP0235031 (6-hydroxy-5a,9-dimethyl-3-methylidene-3ah,4h,5h,6h,7h,9bh-naphtho[1,2-b]furan-2,8-dione)

Structure for NP0235031 (6-hydroxy-5a,9-dimethyl-3-methylidene-3ah,4h,5h,6h,7h,9bh-naphtho[1,2-b]furan-2,8-dione)

3D Structure for NP0235031 (6-hydroxy-5a,9-dimethyl-3-methylidene-3ah,4h,5h,6h,7h,9bh-naphtho[1,2-b]furan-2,8-dione)