NP-MRD: Showing NP-Card for 1-Epicubenol (NP0063345)

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Record Information

Version

2.0

Created at

2022-04-28 07:46:46 UTC

Updated at

2022-04-28 07:46:46 UTC

NP-MRD ID

NP0063345

Secondary Accession Numbers

None

Natural Product Identification

Common Name

1-Epicubenol

Description

(-)-Epicubenol belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. 1-Epicubenol is found in Hyptis spicigera, Chamaecyparis obtusa, Cinnamomum sieboldii, Cleistopholis patens, Croton hieronymi , Cryptomeria japonica, Curcuma mangga , Ferula jaeschkeana, Gymnodinium nagasakiense, Heteroscyphus planus, Humulus lupulus, Juniperus oxycedrus, Lentinellus cochleatus, Lindera communis, Melaleuca linariifolia, Neolentinus lepideus, Phagnalon sordidum, Picea glehnii, Picea koraiensis, Pilgerodendron uviferum, Piper cubeba , Piper fimbriulatum, Scapania undulata, Scytosiphon lomentaria, Senecio vulgaris and Swertia japonica. 1-Epicubenol was first documented in 2012 (PMID: 23373215). Based on a literature review a small amount of articles have been published on (-)-epicubenol (PMID: 23421649) (PMID: 25879507) (PMID: 32598052) (PMID: 30508361).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 42 43  0  0  0  0  0  0  0  0999 V2000
    2.7322   -2.8263    0.2550 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0142   -1.5433    0.0792 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8338   -1.4605   -0.5208 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0630   -0.2127   -0.7288 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0479   -0.1472    0.3330 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9365   -1.3466    0.2349 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.4272   -1.6212   -1.1490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1639   -1.0758    1.1041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8709    1.0473   -0.1479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0806    2.2312    0.3339 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3611    2.2098   -0.0469 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1409    2.5169    1.2154 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8493    1.0382   -0.8142 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8187    1.4077   -2.1969 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3109    0.7141   -0.5922 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5541   -0.2295    0.5610 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0995   -3.6220   -0.1533 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6966   -2.8552   -0.2879 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8568   -3.0385    1.3511 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4453   -2.4319   -0.8724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5451   -0.4091   -1.6697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6470    0.0220    1.3274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4745   -2.2705    0.6228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9327   -0.7152   -1.5954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2718   -2.3648   -1.0486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7140   -2.0714   -1.8364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9813   -0.6024    0.4994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4954   -2.0048    1.5856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8951   -0.3389    1.8889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9372    1.0351   -1.2743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8609    1.0900    0.2975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2339    2.2556    1.4542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6391    3.1402   -0.0192 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5051    3.1413   -0.6763 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0105    3.6023    1.5113 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2065    2.3633    1.1469 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7707    1.9507    2.0967 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5942    2.0129   -2.3287 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9606    1.6039   -0.5824 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6745    0.1395   -1.5004 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6386   -0.3364    0.6676 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0181    0.0021    1.4756 H   0  0  0  0  0  0  0  0  0  0  0  0
  7  6  1  0
  6  8  1  0
  6  5  1  0
  5  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  6
 13 15  1  0
 15 16  1  0
 16  2  1  0
  2  1  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4 13  1  0
  7 24  1  0
  7 25  1  0
  7 26  1  0
  6 23  1  1
  8 27  1  0
  8 28  1  0
  8 29  1  0
  5 22  1  1
  9 30  1  0
  9 31  1  0
 10 32  1  0
 10 33  1  0
 11 34  1  6
 12 35  1  0
 12 36  1  0
 12 37  1  0
 14 38  1  0
 15 39  1  0
 15 40  1  0
 16 41  1  0
 16 42  1  0
  1 17  1  0
  1 18  1  0
  1 19  1  0
  3 20  1  0
  4 21  1  6
M  END


  Mrv1652304282209462D          

 16 17  0  0  1  0            999 V2000
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    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
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  1  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  5 10  1  6  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  4 13  1  0  0  0  0
 11 14  1  0  0  0  0
  4 15  1  1  0  0  0
  3 16  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0063345

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)[C@@H]1CC[C@@H](C)[C@@]2(O)CCC(C)=C[C@@H]12

> <INCHI_IDENTIFIER>
InChI=1S/C15H26O/c1-10(2)13-6-5-12(4)15(16)8-7-11(3)9-14(13)15/h9-10,12-14,16H,5-8H2,1-4H3/t12-,13+,14+,15+/m1/s1

> <INCHI_KEY>
COGPRPSWSKLKTF-QPSCCSFWSA-N

> <FORMULA>
C15H26O

> <MOLECULAR_WEIGHT>
222.372

> <EXACT_MASS>
222.198365457

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
42

> <JCHEM_AVERAGE_POLARIZABILITY>
27.611181556065944

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1S,4R,4aS,8aR)-4,7-dimethyl-1-(propan-2-yl)-1,2,3,4,4a,5,6,8a-octahydronaphthalen-4a-ol

> <ALOGPS_LOGP>
3.76

> <JCHEM_LOGP>
3.6946274139999993

> <ALOGPS_LOGS>
-3.54

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-0.20672885428184162

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
69.2765

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.38e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1S,4R,4aS,8aR)-1-isopropyl-4,7-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-4a-ol

> <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      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.000  -0.000   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -1.334   2.310   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.667  -0.000   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       5.335  -0.000   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       1.334  -3.850   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       0.000  -4.620   0.000  0.00  0.00           C+0
CONECT    1    2    6                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4   16                                                  
CONECT    4    3    5   13   15                                             
CONECT    5    4    6   10                                                  
CONECT    6    5    1    7                                                  
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7                                                            
CONECT   10    5   11                                                       
CONECT   11   10   12   14                                                  
CONECT   12   11   13                                                       
CONECT   13   12    4                                                       
CONECT   14   11                                                            
CONECT   15    4                                                            
CONECT   16    3                                                            
MASTER        0    0    0    0    0    0    0    0   16    0   34    0
END

View in JSmol

Synonyms

Value	Source
(-)-Epi-cubenol	ChEBI
Epi-cubenol	ChEBI
Epicubenol	ChEBI

Chemical Formula

C₁₅H₂₆O

Average Mass

222.3720 Da

Monoisotopic Mass

222.19837 Da

IUPAC Name

(1S,4R,4aS,8aR)-4,7-dimethyl-1-(propan-2-yl)-1,2,3,4,4a,5,6,8a-octahydronaphthalen-4a-ol

Traditional Name

(1S,4R,4aS,8aR)-1-isopropyl-4,7-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-4a-ol

CAS Registry Number

Not Available

SMILES

CC(C)[C@@H]1CC[C@@H](C)[C@@]2(O)CCC(C)=C[C@@H]12

InChI Identifier

InChI=1S/C15H26O/c1-10(2)13-6-5-12(4)15(16)8-7-11(3)9-14(13)15/h9-10,12-14,16H,5-8H2,1-4H3/t12-,13+,14+,15+/m1/s1

InChI Key

COGPRPSWSKLKTF-QPSCCSFWSA-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
Cantinoa americana	LOTUS Database	35616633
Chamaecyparis obtusa	LOTUS Database	35616633
Cinnamomum sieboldii	LOTUS Database	35616633
Cleistopholis patens	LOTUS Database	35616633
Croton hieronymi	Plant	KNApSAcK
Cryptomeria japonica	LOTUS Database	35616633
Curcuma mangga	Plant	KNApSAcK
Ferula jaeschkeana	LOTUS Database	35616633
Gymnodinium nagasakiense	LOTUS Database	35616633
Heteroscyphus planus	LOTUS Database	35616633
Humulus lupulus	LOTUS Database	35616633
Juniperus oxycedrus	LOTUS Database	35616633
Lentinellus cochleatus	LOTUS Database	35616633
Lindera communis	LOTUS Database	35616633
Melaleuca linariifolia	LOTUS Database	35616633
Neolentinus lepideus	LOTUS Database	35616633
Phagnalon sordidum	Plant	KNApSAcK
Picea glehnii	LOTUS Database	35616633
Picea koraiensis	LOTUS Database	35616633
Pilgerodendron uviferum	LOTUS Database	35616633
Piper cubeba	Plant	KNApSAcK
Piper fimbriulatum	LOTUS Database	35616633
Scapania undulata	LOTUS Database	35616633
Scytosiphon lomentaria	LOTUS Database	35616633
Senecio vulgaris	Plant	KNApSAcK
Swertia japonica	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Sesquiterpenoids

Direct Parent

Sesquiterpenoids

Alternative Parents

Substituents

Sesquiterpenoid
Cadinane sesquiterpenoid
Tertiary alcohol
Cyclic alcohol
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
Alcohol
Aliphatic homopolycyclic compound

Molecular Framework

Aliphatic homopolycyclic 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	3.76	ALOGPS
logP	3.69	ChemAxon
logS	-3.5	ALOGPS
pKa (Strongest Basic)	-0.21	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	1	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	20.23 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	69.28 m³·mol⁻¹	ChemAxon
Polarizability	27.61 Å³	ChemAxon
Number of Rings	2	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

C00020145

Chemspider ID

68026550

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

12046149

PDB ID

Not Available

ChEBI ID

156227

Good Scents ID

rw1443141

References

General References

Liu LY, Li ZH, Si J, Dong ZJ, Liu JK: Two new sesquiterpenoids from the fungus Ceriporia alachuana. J Asian Nat Prod Res. 2013;15(3):300-4. doi: 10.1080/10286020.2013.763798. Epub 2013 Feb 19. [PubMed:23421649 ]
Hassen I, M'Rabet Y, Belgacem C, Kesraoui O, Casabianca H, Hosni K: Chemodiversity of volatile oils in Thapsia garganica L. (Apiaceae). Chem Biodivers. 2015 Apr;12(4):637-51. doi: 10.1002/cbdv.201400218. [PubMed:25879507 ]
Zhang PP, Gao SS, Zhang TT, Chen JC, Duan HQ, Fang JB: [Sesquiterpenes from stem of Schisandra glaucescens]. Zhongguo Zhong Yao Za Zhi. 2012 Nov;37(22):3426-9. [PubMed:23373215 ]
Ding L, Gorls H, Hertweck C: Plant-like cadinane sesquiterpenes from an actinobacterial mangrove endophyte. Magn Reson Chem. 2021 Jan;59(1):34-42. doi: 10.1002/mrc.5070. Epub 2020 Jul 13. [PubMed:32598052 ]
Jani NA, Sirat HM, Ahmad F, Ali NAM, Zainal MH: Chemical Composition, Antibacterial and alpha-Glucosidase Inhibitory Activities of the Essential Oils of Neolitsea coccinea (Lauraceae). Nat Prod Commun. 2016 Dec;11(12):1899-1902. [PubMed:30508361 ]

Showing NP-Card for 1-Epicubenol (NP0063345)

MOL for NP0063345 (1-Epicubenol)

3D MOL for NP0063345 (1-Epicubenol)

3D SDF for NP0063345 (1-Epicubenol)

3D-SDF for NP0063345 (1-Epicubenol)

PDB for NP0063345 (1-Epicubenol)

3D PDB for NP0063345 (1-Epicubenol)

SMILES for NP0063345 (1-Epicubenol)

INCHI for NP0063345 (1-Epicubenol)

Structure for NP0063345 (1-Epicubenol)

3D Structure for NP0063345 (1-Epicubenol)