NP-MRD: Showing NP-Card for Spiromaterpene G (NP0044683)

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Record Information

Version

2.0

Created at

2022-02-24 21:12:04 UTC

Updated at

2026-02-05 12:01:19 UTC

NP-MRD ID

NP0044683

Natural Product DOI

https://doi.org/10.57994/5419

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Spiromaterpene G

Description

Spiromaterpene G was first documented in 2021 (PMID: 34161733). Based on a literature review very few articles have been published on (1S,3S)-3-hydroxy-7-(2-hydroxypropan-2-yl)-1,4-dimethyl-1,2,3,5-tetrahydroazulen-5-one.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 38 39  0  0  0  0  0  0  0  0999 V2000
   -1.5816    2.8425   -0.8273 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8195    1.5686   -0.8501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4201    0.4708   -0.3107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8214   -0.6986    0.1674 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5219   -0.8750    0.4004 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5947   -0.1545   -0.1039 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9200   -0.3407    0.5255 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8618    0.7957    0.1385 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5425   -1.6932    0.2277 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7883   -0.2537    1.9035 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5382    0.8051   -1.1313 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4593    1.6357   -1.4472 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6535    2.4765   -2.3083 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8891   -1.7275    0.3547 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4883   -1.7678    1.7335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9734   -1.1523   -0.5726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8649    0.3288   -0.1110 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.6211    1.1627   -0.8773 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8571    3.6911   -0.7581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2332    2.9261    0.0745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1479    3.0004   -1.7686 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7734   -1.6815    1.0574 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2708    0.6627   -0.8689 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2233    1.7101    0.1954 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6789    0.8093    0.8666 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6541   -1.5543    0.3806 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3453   -2.0757   -0.7909 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2363   -2.4106    1.0300 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0796    0.4408    2.0594 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4024    0.8431   -1.7269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5623   -2.7382    0.0299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1557   -2.7042    2.2625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6048   -1.9225    1.6190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2952   -0.9029    2.3721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5838   -1.1835   -1.6220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9514   -1.5766   -0.4272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1551    0.3056    0.9512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5183    0.9376   -1.8473 H   0  0  0  0  0  0  0  0  0  0  0  0
 15 14  1  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 17  3  1  0
  3  2  2  0
  2  1  1  0
  2 12  1  0
 12 13  2  0
 12 11  1  0
 11  6  2  0
  6  5  1  0
  5  4  2  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  7 10  1  1
  4 14  1  0
  4  3  1  0
 15 32  1  0
 15 33  1  0
 15 34  1  0
 14 31  1  6
 16 35  1  0
 16 36  1  0
 17 37  1  1
 18 38  1  0
  1 19  1  0
  1 20  1  0
  1 21  1  0
 11 30  1  0
  5 22  1  0
  8 23  1  0
  8 24  1  0
  8 25  1  0
  9 26  1  0
  9 27  1  0
  9 28  1  0
 10 29  1  0
M  END


  Mrv1652302242222122D          

 18 19  0  0  1  0            999 V2000
    0.7017   -2.4282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9566   -1.6436    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4717   -0.9761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9566   -0.3087    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7017    0.4759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7413   -0.5636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3863   -0.0492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2027    0.7551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1906   -0.2328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7050    0.4122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5485   -0.9761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1906   -1.7194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3863   -1.9030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7413   -1.3886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7050   -2.3644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2193   -3.0094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0600   -2.8788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3500   -1.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  6  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
  2 14  1  0  0  0  0
  6 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0044683

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@H]1C[C@H](O)C2=C(C)C(=O)C=C(C=C12)C(C)(C)O

> <INCHI_IDENTIFIER>
InChI=1S/C15H20O3/c1-8-5-13(17)14-9(2)12(16)7-10(6-11(8)14)15(3,4)18/h6-8,13,17-18H,5H2,1-4H3/t8-,13-/m0/s1

> <INCHI_KEY>
LWJHTWMHHZWSDG-SDBXPKJASA-N

> <FORMULA>
C15H20O3

> <MOLECULAR_WEIGHT>
248.322

> <EXACT_MASS>
248.141244504

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
38

> <JCHEM_AVERAGE_POLARIZABILITY>
27.958927420806774

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1S,3S)-3-hydroxy-7-(2-hydroxypropan-2-yl)-1,4-dimethyl-1,2,3,5-tetrahydroazulen-5-one

> <ALOGPS_LOGP>
1.48

> <JCHEM_LOGP>
0.9133872180000004

> <ALOGPS_LOGS>
-2.64

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.87223241500551

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.256598508749956

> <JCHEM_PKA_STRONGEST_BASIC>
-2.956223690119857

> <JCHEM_POLAR_SURFACE_AREA>
57.53

> <JCHEM_REFRACTIVITY>
73.0493

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.65e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1S,3S)-3-hydroxy-7-(2-hydroxypropan-2-yl)-1,4-dimethyl-2,3-dihydro-1H-azulen-5-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 24-FEB-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-22         0                                  
HETATM    1  C   UNK     0       1.310  -4.533   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.786  -3.068   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.881  -1.822   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.786  -0.576   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       1.310   0.888   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       3.250  -1.052   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       4.454  -0.092   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.112   1.409   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       5.956  -0.435   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       6.916   0.769   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       6.624  -1.822   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       5.956  -3.210   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.454  -3.552   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       3.250  -2.592   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       6.916  -4.414   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       7.876  -5.618   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       5.712  -5.374   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       8.120  -3.453   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   14                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7   14                                                  
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12                                                       
CONECT   12   11   13   15                                                  
CONECT   13   12   14                                                       
CONECT   14   13    2    6                                                  
CONECT   15   12   16   17   18                                             
CONECT   16   15                                                            
CONECT   17   15                                                            
CONECT   18   15                                                            
MASTER        0    0    0    0    0    0    0    0   18    0   38    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₅H₂₀O₃

Average Mass

248.3220 Da

Monoisotopic Mass

248.14124 Da

IUPAC Name

(1S,3S)-3-hydroxy-7-(2-hydroxypropan-2-yl)-1,4-dimethyl-1,2,3,5-tetrahydroazulen-5-one

Traditional Name

(1S,3S)-3-hydroxy-7-(2-hydroxypropan-2-yl)-1,4-dimethyl-2,3-dihydro-1H-azulen-5-one

CAS Registry Number

Not Available

SMILES

C[C@H]1C[C@H](O)C2=C(C)C(=O)C=C(C=C12)C(C)(C)O

InChI Identifier

InChI=1S/C15H20O3/c1-8-5-13(17)14-9(2)12(16)7-10(6-11(8)14)15(3,4)18/h6-8,13,17-18H,5H2,1-4H3/t8-,13-/m0/s1

InChI Key

LWJHTWMHHZWSDG-SDBXPKJASA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 125 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 150 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 175 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 225 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 250 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

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

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹H NMR Spectrum (1D, 400.0, Dimethylsulfoxide-d6, simulated)	[email protected]	Not Available	Not Available	2026-02-05	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100.0, Dimethylsulfoxide-d6, simulated)	[email protected]	Not Available	Not Available	2026-02-05	View Spectrum

Species

Species of Origin

Species Name	Source	Reference
Spiromastix sp.		Not Available
Spiromastix sp.	Linington's dataset npmrd_submissions_20220207	34161733

Chemical Taxonomy

Classification

Not classified

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	1.48	ALOGPS
logP	0.91	ChemAxon
logS	-2.6	ALOGPS
pKa (Strongest Acidic)	14.26	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	57.53 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	73.05 m³·mol⁻¹	ChemAxon
Polarizability	27.96 Å³	ChemAxon
Number of Rings	2	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

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

110417262

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Guo X, Meng Q, Niu S, Liu J, Guo X, Sun Z, Liu D, Gu Y, Huang J, Fan A, Lin W: Epigenetic Manipulation to Trigger Production of Guaiane-Type Sesquiterpenes from a Marine-Derived Spiromastix sp. Fungus with Antineuroinflammatory Effects. J Nat Prod. 2021 Jul 23;84(7):1993-2003. doi: 10.1021/acs.jnatprod.1c00293. Epub 2021 Jun 23. [PubMed:34161733 ]
DOI: 10.1021/acs.jnatprod.1c00293
PMID: 34161733

Showing NP-Card for Spiromaterpene G (NP0044683)

MOL for NP0044683 (Spiromaterpene G)

3D MOL for NP0044683 (Spiromaterpene G)

3D SDF for NP0044683 (Spiromaterpene G)

3D-SDF for NP0044683 (Spiromaterpene G)

PDB for NP0044683 (Spiromaterpene G)

3D PDB for NP0044683 (Spiromaterpene G)

SMILES for NP0044683 (Spiromaterpene G)

INCHI for NP0044683 (Spiromaterpene G)

Structure for NP0044683 (Spiromaterpene G)

3D Structure for NP0044683 (Spiromaterpene G)