NP-MRD: Showing NP-Card for (2r,2'r,3's,5'r,7'r,9's,12'r)-2'-hydroxy-7'-methyl-12'-(prop-1-en-2-yl)-4',10'-dioxaspiro[oxirane-2,6'-tetracyclo[7.2.1.0²,⁷.0³,⁵]dodecan]-11'-one (NP0209157)

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Record Information

Version

2.0

Created at

2022-09-05 06:27:20 UTC

Updated at

2022-09-05 06:27:20 UTC

NP-MRD ID

NP0209157

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2r,2'r,3's,5'r,7'r,9's,12'r)-2'-hydroxy-7'-methyl-12'-(prop-1-en-2-yl)-4',10'-dioxaspiro[oxirane-2,6'-tetracyclo[7.2.1.0²,⁷.0³,⁵]dodecan]-11'-one

Description

Coriamyrtin belongs to the class of organic compounds known as gamma butyrolactones. Gamma butyrolactones are compounds containing a gamma butyrolactone moiety, which consists of an aliphatic five-member ring with four carbon atoms, one oxygen atom, and bears a ketone group on the carbon adjacent to the oxygen atom. (2r,2'r,3's,5'r,7'r,9's,12'r)-2'-hydroxy-7'-methyl-12'-(prop-1-en-2-yl)-4',10'-dioxaspiro[oxirane-2,6'-tetracyclo[7.2.1.0²,⁷.0³,⁵]dodecan]-11'-one is found in Coriaria microphylla, Coriaria ruscifolia and Scurrula parasitica. (2r,2'r,3's,5'r,7'r,9's,12'r)-2'-hydroxy-7'-methyl-12'-(prop-1-en-2-yl)-4',10'-dioxaspiro[oxirane-2,6'-tetracyclo[7.2.1.0²,⁷.0³,⁵]dodecan]-11'-one was first documented in 2005 (PMID: 16165183). Based on a literature review a small amount of articles have been published on Coriamyrtin (PMID: 24467533) (PMID: 22162164) (PMID: 35650040) (PMID: 21297293).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 38 42  0  0  0  0  0  0  0  0999 V2000
   -2.6029    1.2680   -1.6052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5711    0.5679   -0.5115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6196   -0.5173   -0.3651 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6324    0.6780    0.5553 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5090    1.6410    0.4834 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4511    1.3047   -0.6027 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1663   -0.0044   -0.3298 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7696   -0.4794   -1.6301 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1900   -1.0635    0.1204 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2918   -1.8361   -0.9093 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8806   -0.5485    0.9917 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1807    0.0802    2.1784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0034   -0.5093    3.2485 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1560    1.3588    1.7478 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0700   -1.9665    0.9999 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3594   -2.2335    0.5791 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1743   -1.1595    1.4605 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1745    0.1700    0.7354 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8571    1.2755    1.1777 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5638    0.4276    0.2655 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9165    2.0849   -1.8529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3914    1.0230   -2.3591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0646   -0.7738   -1.3303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1719   -1.4365    0.0639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4115   -0.0799    0.2750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2233    0.9687    1.4896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8032    2.7023    0.5162 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2076    2.1302   -0.6082 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0812    1.2283   -1.6167 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1003    0.4218   -2.1830 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6074   -1.1712   -1.4890 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9950   -1.0228   -2.2342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2647   -2.7999   -0.7154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5369   -1.3685    1.3153 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5921   -2.7391    1.5938 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5234   -1.2378    2.4888 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3017    1.3310    2.2001 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7348    2.2859    0.7343 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  1  0
  2  1  2  3
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  6
  7 18  1  0
 18 19  1  0
 19 20  1  0
 18 17  1  0
 17 16  1  0
 16 15  1  0
 15  9  1  0
  9 10  1  6
  9 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 11  4  1  0
 14  5  1  0
  9  7  1  0
 18 20  1  6
 15 17  1  0
  3 23  1  0
  3 24  1  0
  3 25  1  0
  1 21  1  0
  1 22  1  0
  4 26  1  1
  5 27  1  1
  6 28  1  0
  6 29  1  0
  8 30  1  0
  8 31  1  0
  8 32  1  0
 19 37  1  0
 19 38  1  0
 17 36  1  1
 15 35  1  1
 10 33  1  0
 11 34  1  1
M  END


  Mrv1652309052208272D          

 20 24  0  0  1  0            999 V2000
    1.5299    3.7438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7883    2.8092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5276    1.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7075    2.4684    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0237    1.5668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6185    2.1385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4141    1.8233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5424    2.9600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8527    3.4127    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0687    3.1557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7809    2.3825    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1652    3.0983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2059    1.6754    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5790    0.8453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6647    1.0527    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0059    0.5561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9053    1.3750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9770    2.1968    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1672    2.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7083    2.9769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  6  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  9  8  1  6  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  1  0  0  0
 11 13  1  0  0  0  0
  5 13  1  0  0  0  0
 13 14  1  1  0  0  0
 13 15  1  0  0  0  0
 15 16  1  1  0  0  0
 17 16  1  1  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 11 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 18 20  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0209157

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(=C)[C@@H]1[C@@H]2C[C@@]3(C)[C@@]4(CO4)[C@@H]4O[C@@H]4[C@@]3(O)C1C(=O)O2

> <INCHI_IDENTIFIER>
InChI=1S/C15H18O5/c1-6(2)8-7-4-13(3)14(5-18-14)10-11(20-10)15(13,17)9(8)12(16)19-7/h7-11,17H,1,4-5H2,2-3H3/t7-,8+,9?,10+,11-,13-,14+,15-/m0/s1

> <INCHI_KEY>
BWWDLKVKPVKBGJ-AJKNKLPHSA-N

> <FORMULA>
C15H18O5

> <MOLECULAR_WEIGHT>
278.304

> <EXACT_MASS>
278.11542368

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
38

> <JCHEM_AVERAGE_POLARIZABILITY>
26.953638953079395

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2R,2'R,3'S,5'R,7'R,9'S,12'R)-2'-hydroxy-7'-methyl-12'-(prop-1-en-2-yl)-4',10'-dioxaspiro[oxirane-2,6'-tetracyclo[7.2.1.0^{2,7}.0^{3,5}]dodecane]-11'-one

> <JCHEM_LOGP>
0.25663013300000026

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.83964162480791

> <JCHEM_PKA_STRONGEST_BASIC>
-3.7437407533090203

> <JCHEM_POLAR_SURFACE_AREA>
71.59

> <JCHEM_REFRACTIVITY>
66.2593

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(2R,2'R,3'S,5'R,7'R,9'S,12'R)-2'-hydroxy-7'-methyl-12'-(prop-1-en-2-yl)-4',10'-dioxaspiro[oxirane-2,6'-tetracyclo[7.2.1.0^{2,7}.0^{3,5}]dodecane]-11'-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 05-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   05-SEP-22         0                                  
HETATM    1  C   UNK     0       2.856   6.988   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       3.338   5.244   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.851   3.477   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       5.054   4.608   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.644   2.925   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       6.755   3.992   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       8.240   3.404   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0       6.612   5.525   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       5.325   6.370   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       3.862   5.891   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       3.324   4.447   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.175   5.783   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.118   3.127   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       4.814   1.578   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       3.107   1.965   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       1.878   1.038   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       1.690   2.567   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       1.824   4.101   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       0.312   4.394   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       1.322   5.557   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5    9                                                  
CONECT    5    4    6   13                                                  
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    8    4   10                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   13   18                                             
CONECT   12   11                                                            
CONECT   13   11    5   14   15                                             
CONECT   14   13                                                            
CONECT   15   13   16   17                                                  
CONECT   16   15   17                                                       
CONECT   17   16   15   18                                                  
CONECT   18   17   11   19   20                                             
CONECT   19   18   20                                                       
CONECT   20   19   18                                                       
MASTER        0    0    0    0    0    0    0    0   20    0   48    0
END

View in JSmol

Synonyms

Value	Source
Coriamyrtine	MeSH

Chemical Formula

C₁₅H₁₈O₅

Average Mass

278.3040 Da

Monoisotopic Mass

278.11542 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CC(=C)[C@@H]1[C@@H]2C[C@@]3(C)[C@@]4(CO4)[C@@H]4O[C@@H]4[C@@]3(O)C1C(=O)O2

InChI Identifier

InChI=1S/C15H18O5/c1-6(2)8-7-4-13(3)14(5-18-14)10-11(20-10)15(13,17)9(8)12(16)19-7/h7-11,17H,1,4-5H2,2-3H3/t7-,8+,9?,10+,11-,13-,14+,15-/m0/s1

InChI Key

BWWDLKVKPVKBGJ-AJKNKLPHSA-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
Coriaria microphylla	LOTUS Database	35616633
Coriaria ruscifolia	LOTUS Database	35616633
Scurrula parasitica	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as gamma butyrolactones. Gamma butyrolactones are compounds containing a gamma butyrolactone moiety, which consists of an aliphatic five-member ring with four carbon atoms, one oxygen atom, and bears a ketone group on the carbon adjacent to the oxygen atom.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Lactones

Sub Class

Gamma butyrolactones

Direct Parent

Gamma butyrolactones

Alternative Parents

Substituents

Oxepane
Oxane
Gamma butyrolactone
Tetrahydrofuran
Tertiary alcohol
Cyclic alcohol
Carboxylic acid ester
Oxacycle
Monocarboxylic acid or derivatives
Ether
Oxirane
Dialkyl ether
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
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

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00003238

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

118701340

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

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He JB, Yan YM, Ma XJ, Lu Q, Li XS, Su J, Li Y, Liu GM, Cheng YX: Sesquiterpenoids and diarylheptanoids from Nidus vespae and their inhibitory effects on nitric oxide production. Chem Biodivers. 2011 Dec;8(12):2270-6. doi: 10.1002/cbdv.201000366. [PubMed:22162164 ]
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LOTUS database [Link]

Showing NP-Card for (2r,2'r,3's,5'r,7'r,9's,12'r)-2'-hydroxy-7'-methyl-12'-(prop-1-en-2-yl)-4',10'-dioxaspiro[oxirane-2,6'-tetracyclo[7.2.1.0²,⁷.0³,⁵]dodecan]-11'-one (NP0209157)

MOL for NP0209157 ((2r,2'r,3's,5'r,7'r,9's,12'r)-2'-hydroxy-7'-methyl-12'-(prop-1-en-2-yl)-4',10'-dioxaspiro[oxirane-2,6'-tetracyclo[7.2.1.0²,⁷.0³,⁵]dodecan]-11'-one)

3D MOL for NP0209157 ((2r,2'r,3's,5'r,7'r,9's,12'r)-2'-hydroxy-7'-methyl-12'-(prop-1-en-2-yl)-4',10'-dioxaspiro[oxirane-2,6'-tetracyclo[7.2.1.0²,⁷.0³,⁵]dodecan]-11'-one)

3D SDF for NP0209157 ((2r,2'r,3's,5'r,7'r,9's,12'r)-2'-hydroxy-7'-methyl-12'-(prop-1-en-2-yl)-4',10'-dioxaspiro[oxirane-2,6'-tetracyclo[7.2.1.0²,⁷.0³,⁵]dodecan]-11'-one)

3D-SDF for NP0209157 ((2r,2'r,3's,5'r,7'r,9's,12'r)-2'-hydroxy-7'-methyl-12'-(prop-1-en-2-yl)-4',10'-dioxaspiro[oxirane-2,6'-tetracyclo[7.2.1.0²,⁷.0³,⁵]dodecan]-11'-one)

PDB for NP0209157 ((2r,2'r,3's,5'r,7'r,9's,12'r)-2'-hydroxy-7'-methyl-12'-(prop-1-en-2-yl)-4',10'-dioxaspiro[oxirane-2,6'-tetracyclo[7.2.1.0²,⁷.0³,⁵]dodecan]-11'-one)

3D PDB for NP0209157 ((2r,2'r,3's,5'r,7'r,9's,12'r)-2'-hydroxy-7'-methyl-12'-(prop-1-en-2-yl)-4',10'-dioxaspiro[oxirane-2,6'-tetracyclo[7.2.1.0²,⁷.0³,⁵]dodecan]-11'-one)

SMILES for NP0209157 ((2r,2'r,3's,5'r,7'r,9's,12'r)-2'-hydroxy-7'-methyl-12'-(prop-1-en-2-yl)-4',10'-dioxaspiro[oxirane-2,6'-tetracyclo[7.2.1.0²,⁷.0³,⁵]dodecan]-11'-one)

INCHI for NP0209157 ((2r,2'r,3's,5'r,7'r,9's,12'r)-2'-hydroxy-7'-methyl-12'-(prop-1-en-2-yl)-4',10'-dioxaspiro[oxirane-2,6'-tetracyclo[7.2.1.0²,⁷.0³,⁵]dodecan]-11'-one)

Structure for NP0209157 ((2r,2'r,3's,5'r,7'r,9's,12'r)-2'-hydroxy-7'-methyl-12'-(prop-1-en-2-yl)-4',10'-dioxaspiro[oxirane-2,6'-tetracyclo[7.2.1.0²,⁷.0³,⁵]dodecan]-11'-one)

3D Structure for NP0209157 ((2r,2'r,3's,5'r,7'r,9's,12'r)-2'-hydroxy-7'-methyl-12'-(prop-1-en-2-yl)-4',10'-dioxaspiro[oxirane-2,6'-tetracyclo[7.2.1.0²,⁷.0³,⁵]dodecan]-11'-one)