NP-MRD: Showing NP-Card for 4-hydroxy-11,11-dimethyl-16-oxatetracyclo[6.6.2.0¹,¹⁰.0²,⁷]hexadeca-2,4,6-triene-5-carbaldehyde (NP0240844)

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Record Information

Version

2.0

Created at

2022-09-07 00:45:41 UTC

Updated at

2022-09-07 00:45:41 UTC

NP-MRD ID

NP0240844

Secondary Accession Numbers

None

Natural Product Identification

Common Name

4-hydroxy-11,11-dimethyl-16-oxatetracyclo[6.6.2.0¹,¹⁰.0²,⁷]hexadeca-2,4,6-triene-5-carbaldehyde

Description

4-Hydroxy-11,11-dimethyl-16-oxatetracyclo[6.6.2.0¹,¹⁰.0²,⁷]Hexadeca-2,4,6-triene-5-carbaldehyde belongs to the class of organic compounds known as phenanthrenes and derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene. 4-hydroxy-11,11-dimethyl-16-oxatetracyclo[6.6.2.0¹,¹⁰.0²,⁷]hexadeca-2,4,6-triene-5-carbaldehyde is found in Salvia przewalskii. 4-Hydroxy-11,11-dimethyl-16-oxatetracyclo[6.6.2.0¹,¹⁰.0²,⁷]Hexadeca-2,4,6-triene-5-carbaldehyde is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 43 46  0  0  0  0  0  0  0  0999 V2000
   -3.0320   -1.5207   -0.5945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4048   -0.2070   -0.0869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0576    0.1000    1.2114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8267    0.8494   -1.0735 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6970    1.3805   -1.8895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4911    1.7715   -1.0637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708    0.8028   -0.0493 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1639    1.3773    1.3861 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0961    0.4349    2.3313 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5013   -0.8157    1.8702 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5686   -1.4440    0.9824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9414   -0.4538   -0.0637 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6358   -0.5337    0.9521 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8848   -1.0799    1.1009 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8946   -0.7582    0.1847 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2275   -1.3307    0.3294 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4304   -2.1087    1.2898 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5894    0.1137   -0.8546 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6079    0.4082   -1.7383 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3009    0.6542   -0.9770 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3232    0.3357   -0.0802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8829   -2.2551    0.2288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1386   -1.3839   -0.6676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5642   -1.8607   -1.5179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3077    1.2021    1.2706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0847   -0.3770    1.2459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5549   -0.2288    2.1114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6108    0.4990   -1.7763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2938    1.7380   -0.5525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0464    2.3153   -2.3921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4384    0.6476   -2.6762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6680    2.7843   -0.5879 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2986    1.9486   -1.8160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0588    1.9794    1.5216 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6965    2.1130    1.4155 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7770   -1.4331    2.7206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0746   -2.3711    0.5631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4158   -1.8314    1.5810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6895   -0.9357   -1.0591 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1326   -1.7571    1.9030 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0228   -1.1147   -0.3415 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5060    1.0297   -2.5341 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1575    1.3159   -1.8074 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  7  6  1  6
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 10 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 15 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 12  2  1  0
 21 13  1  0
 12  7  1  0
 21  7  1  0
  1 22  1  0
  1 23  1  0
  1 24  1  0
  3 25  1  0
  3 26  1  0
  3 27  1  0
  4 28  1  0
  4 29  1  0
  5 30  1  0
  5 31  1  0
  6 32  1  0
  6 33  1  0
  8 34  1  0
  8 35  1  0
 10 36  1  1
 11 37  1  0
 11 38  1  0
 12 39  1  6
 14 40  1  0
 16 41  1  0
 19 42  1  0
 20 43  1  0
M  END


  Mrv1533004171523252D          

 21 24  0  0  0  0            999 V2000
   -0.3695   -0.2217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3502    0.1816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5914   -0.6073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2136    0.8180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1148    1.6003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9416    1.6645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5873    1.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1839    0.6252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0877   -0.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5809   -0.6036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6426   -0.5603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2002    0.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9417    0.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7643    0.1909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2305    0.8715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0531    0.8081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5193    1.4887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8742    1.6156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3404    2.2962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0516    1.6791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5854    0.9984    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
  2  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
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  2 12  1  0  0  0  0
  7 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 15 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
  7 21  1  0  0  0  0
 13 21  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0240844

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1(C)CCCC23COC(CC12)C1=CC(C=O)=C(O)C=C31

> <INCHI_IDENTIFIER>
InChI=1S/C18H22O3/c1-17(2)4-3-5-18-10-21-15(8-16(17)18)12-6-11(9-19)14(20)7-13(12)18/h6-7,9,15-16,20H,3-5,8,10H2,1-2H3

> <INCHI_KEY>
KFHYJDBDWSUZHB-UHFFFAOYSA-N

> <FORMULA>
C18H22O3

> <MOLECULAR_WEIGHT>
286.371

> <EXACT_MASS>
286.156894568

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
43

> <JCHEM_AVERAGE_POLARIZABILITY>
31.209546759924905

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
4-hydroxy-11,11-dimethyl-16-oxatetracyclo[6.6.2.0¹,¹⁰.0²,⁷]hexadeca-2,4,6-triene-5-carbaldehyde

> <ALOGPS_LOGP>
3.46

> <JCHEM_LOGP>
4.02112135

> <ALOGPS_LOGS>
-4.30

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.31664374147621

> <JCHEM_PKA_STRONGEST_BASIC>
-4.182197623604759

> <JCHEM_POLAR_SURFACE_AREA>
46.53

> <JCHEM_REFRACTIVITY>
81.88099999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.44e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4-hydroxy-11,11-dimethyl-16-oxatetracyclo[6.6.2.0¹,¹⁰.0²,⁷]hexadeca-2,4,6-triene-5-carbaldehyde

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 17-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   17-APR-15         0                                  
HETATM    1  C   UNK     0      -0.690  -0.414   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.654   0.339   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.104  -1.134   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -0.399   1.527   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.214   2.987   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.758   3.107   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.963   2.041   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.077   1.167   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       3.897  -0.173   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       4.818  -1.127   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       3.066  -1.046   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.240   0.471   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       5.491   0.475   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       7.027   0.356   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       7.897   1.627   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       9.432   1.508   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      10.303   2.779   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       7.232   3.016   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       8.102   4.286   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       5.696   3.134   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       4.826   1.864   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4   12                                             
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8   12   21                                             
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   13                                                  
CONECT   11   10   12                                                       
CONECT   12   11    2    7                                                  
CONECT   13   10   14   21                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   18                                                  
CONECT   16   15   17                                                       
CONECT   17   16                                                            
CONECT   18   15   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21                                                       
CONECT   21   20    7   13                                                  
MASTER        0    0    0    0    0    0    0    0   21    0   48    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₈H₂₂O₃

Average Mass

286.3710 Da

Monoisotopic Mass

286.15689 Da

IUPAC Name

4-hydroxy-11,11-dimethyl-16-oxatetracyclo[6.6.2.0¹,¹⁰.0²,⁷]hexadeca-2,4,6-triene-5-carbaldehyde

Traditional Name

4-hydroxy-11,11-dimethyl-16-oxatetracyclo[6.6.2.0¹,¹⁰.0²,⁷]hexadeca-2,4,6-triene-5-carbaldehyde

CAS Registry Number

Not Available

SMILES

CC1(C)CCCC23COC(CC12)C1=CC(C=O)=C(O)C=C31

InChI Identifier

InChI=1S/C18H22O3/c1-17(2)4-3-5-18-10-21-15(8-16(17)18)12-6-11(9-19)14(20)7-13(12)18/h6-7,9,15-16,20H,3-5,8,10H2,1-2H3

InChI Key

KFHYJDBDWSUZHB-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
Salvia przewalskii	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as phenanthrenes and derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Phenanthrenes and derivatives

Sub Class

Not Available

Direct Parent

Phenanthrenes and derivatives

Alternative Parents

Substituents

Phenanthrene
Benzopyran
Isochromane
Tetralin
2-benzopyran
1-hydroxy-2-unsubstituted benzenoid
Aryl-aldehyde
Oxane
Vinylogous acid
Dialkyl ether
Ether
Oxacycle
Organoheterocyclic compound
Aldehyde
Organooxygen compound
Hydrocarbon derivative
Organic oxygen compound
Organic oxide
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic 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	3.46	ALOGPS
logP	4.02	ChemAxon
logS	-4.3	ALOGPS
pKa (Strongest Acidic)	8.32	ChemAxon
pKa (Strongest Basic)	-4.2	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	46.53 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	81.88 m³·mol⁻¹	ChemAxon
Polarizability	31.21 Å³	ChemAxon
Number of Rings	4	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

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KEGG Compound ID

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BioCyc ID

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BiGG ID

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Wikipedia Link

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METLIN ID

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PubChem Compound

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PDB ID

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ChEBI ID

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Good Scents ID

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References

General References

LOTUS database [Link]

Showing NP-Card for 4-hydroxy-11,11-dimethyl-16-oxatetracyclo[6.6.2.0¹,¹⁰.0²,⁷]hexadeca-2,4,6-triene-5-carbaldehyde (NP0240844)

MOL for NP0240844 (4-hydroxy-11,11-dimethyl-16-oxatetracyclo[6.6.2.0¹,¹⁰.0²,⁷]hexadeca-2,4,6-triene-5-carbaldehyde)

3D MOL for NP0240844 (4-hydroxy-11,11-dimethyl-16-oxatetracyclo[6.6.2.0¹,¹⁰.0²,⁷]hexadeca-2,4,6-triene-5-carbaldehyde)

3D SDF for NP0240844 (4-hydroxy-11,11-dimethyl-16-oxatetracyclo[6.6.2.0¹,¹⁰.0²,⁷]hexadeca-2,4,6-triene-5-carbaldehyde)

3D-SDF for NP0240844 (4-hydroxy-11,11-dimethyl-16-oxatetracyclo[6.6.2.0¹,¹⁰.0²,⁷]hexadeca-2,4,6-triene-5-carbaldehyde)

PDB for NP0240844 (4-hydroxy-11,11-dimethyl-16-oxatetracyclo[6.6.2.0¹,¹⁰.0²,⁷]hexadeca-2,4,6-triene-5-carbaldehyde)

3D PDB for NP0240844 (4-hydroxy-11,11-dimethyl-16-oxatetracyclo[6.6.2.0¹,¹⁰.0²,⁷]hexadeca-2,4,6-triene-5-carbaldehyde)

SMILES for NP0240844 (4-hydroxy-11,11-dimethyl-16-oxatetracyclo[6.6.2.0¹,¹⁰.0²,⁷]hexadeca-2,4,6-triene-5-carbaldehyde)

INCHI for NP0240844 (4-hydroxy-11,11-dimethyl-16-oxatetracyclo[6.6.2.0¹,¹⁰.0²,⁷]hexadeca-2,4,6-triene-5-carbaldehyde)

Structure for NP0240844 (4-hydroxy-11,11-dimethyl-16-oxatetracyclo[6.6.2.0¹,¹⁰.0²,⁷]hexadeca-2,4,6-triene-5-carbaldehyde)

3D Structure for NP0240844 (4-hydroxy-11,11-dimethyl-16-oxatetracyclo[6.6.2.0¹,¹⁰.0²,⁷]hexadeca-2,4,6-triene-5-carbaldehyde)